Geometry & MOs

Info

ID:

144952

PubChem CID:

53436775

Reduced:

NO5C16H18 (1)

Stoich.:

AB5C16D18 (1)

Weight, g/mol:

318.11944

ΔHf, kcal/mol:

-149.48

Dipole, Da:

5.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755807

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-bromotetradec-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1C2CCC([N+]2=O)CC1OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations