Geometry & MOs

Info

ID:

14500

PubChem CID:

413369

Reduced:

ClNOC12H19 (1)

Stoich.:

ABCD12E19 (1)

Weight, g/mol:

228.115517

ΔHf, kcal/mol:

-3.24

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751148

Charge, e:

 1

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methoxy]ethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations