Geometry & MOs

Info

ID:	73313
PubChem CID:	48417410
Reduced:	O3N6C16H16 (1)
Stoich.:	A3B6C16D16 (1)
Weight, g/mol:	293.102508
ΔH_f, kcal/mol:	51.56
Dipole, Da:	6.47
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations