Geometry & MOs

Info

ID:	39087
PubChem CID:	8139672
Reduced:	ON2F3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	348.111494
ΔH_f, kcal/mol:	-160.33
Dipole, Da:	5.24
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4-chloro-2-nitrobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations