Geometry & MOs

Info

ID:	73226
PubChem CID:	48417234
Reduced:	ON6H16C20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	323.113073
ΔH_f, kcal/mol:	136.38
Dipole, Da:	9.43
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-4-cyanopyrazole-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N(N=C1C(=O)N2C(=C(C=N2)C#N)N)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations