Geometry & MOs

Info

ID:	67181
PubChem CID:	46506016
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	481.170981
ΔH_f, kcal/mol:	1.69
Dipole, Da:	8.63
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-nitro-5-[(Z)-1-pyridin-4-ylethylideneamino]oxyphenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC3=CC=CC=C32)C)[N+](=O)[O-]

DOS

IR

Vibrations