Geometry & MOs

Info

ID:	73283
PubChem CID:	48417362
Reduced:	OCl2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	53.44
Dipole, Da:	5.03
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations