Geometry & MOs

Info

ID:	124379
PubChem CID:	50881046
Reduced:	BrN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	313.978046
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	6.81
IP(EA), eV:	-9.62(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dichlorophenyl)-4-chlorobenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)[N+](=O)[O-])C)NC(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations