Geometry & MOs

Info

ID:	73308
PubChem CID:	48417404
Reduced:	O3N8H12C13 (1)
Stoich.:	A3B8C12D13 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	7.97
IP(EA), eV:	-9.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-naphthalen-2-ylacetyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations