Geometry & MOs

Info

ID:	73385
PubChem CID:	48417580
Reduced:	ON7H11C15 (1)
Stoich.:	AB7C11D15 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	112.61
Dipole, Da:	5.54
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations