Geometry & MOs

Info

ID:	196851
PubChem CID:	78886402
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	340.092003
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	8.65
IP(EA), eV:	-8.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)NC(=O)NC3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations