Geometry & MOs

Info

ID:	73126
PubChem CID:	48417046
Reduced:	OSN4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	52.57
Dipole, Da:	6.63
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations