Geometry & MOs

Info

ID:

146869

PubChem CID:

53763881

Reduced:

NOC14H19 (1)

Stoich.:

ABC14D19 (1)

Weight, g/mol:

1804.65187

ΔHf, kcal/mol:

-40.36

Dipole, Da:

2.32

IP(EA), eV:

-8.59(0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-chloro-4-(3,3-dibromoprop-2-enoxy)-N,6-dimethylaniline;2-chloro-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-chloro-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-chloro-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CN1CCC[C@@H]2[C@@H]1CC3=C(C2)C(=CC=C3)O

DOS

IR

Vibrations