Geometry & MOs

Info

ID:	73265
PubChem CID:	48417315
Reduced:	SO4N6C15H16 (1)
Stoich.:	AB4C6D15E16 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-63.2
Dipole, Da:	10.84
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations