Geometry & MOs

Info

ID:	39367
PubChem CID:	8140500
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	363.103094
ΔH_f, kcal/mol:	-10.23
Dipole, Da:	10.69
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN(C)C)[N+](=O)[O-]

DOS

IR

Vibrations