Geometry & MOs

Info

ID:	389831
PubChem CID:	134995442
Reduced:	ClPN2O5C37H42 (1)
Stoich.:	ABC2D5E37F42 (1)
Weight, g/mol:	247.070539
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	6.96
IP(EA), eV:	-9.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetyl-2-nitroanilino)diazenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCCP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Cl

DOS

IR

Vibrations