Geometry & MOs

Info

ID:	38929
PubChem CID:	8138181
Reduced:	SN4O4H12C13 (1)
Stoich.:	AB4C4D12E13 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	4.74
IP(EA), eV:	-9.27(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(4-methylphenyl)-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations