Geometry & MOs

Info

ID:	46506
PubChem CID:	10524829
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	394.96723
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	2.51
IP(EA), eV:	-8.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-6-nitrophenyl)methylideneamino]-5-chlorophenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)CNC(=O)CN

DOS

IR

Vibrations