Geometry & MOs

Info

ID:	173244
PubChem CID:	75611631
Reduced:	N5O8C20H21 (1)
Stoich.:	A5B8C20D21 (1)
Weight, g/mol:	433.078911
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	2.27
IP(EA), eV:	-8.64(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)NC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations