Geometry & MOs

Info

ID:	73115
PubChem CID:	48417020
Reduced:	OSN4H8C13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	277.09636
ΔH_f, kcal/mol:	81.21
Dipole, Da:	5.56
IP(EA), eV:	-9.07(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-pyrrol-1-ylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations