Geometry & MOs

Info

ID:	139764
PubChem CID:	52590830
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	411.067195
ΔH_f, kcal/mol:	5.28
Dipole, Da:	8.25
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC2(CC2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations