Geometry & MOs

Info

ID:	72996
PubChem CID:	48416776
Reduced:	O2N5H13C19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	361.074579
ΔH_f, kcal/mol:	57.9
Dipole, Da:	1.67
IP(EA), eV:	-8.87(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations