Geometry & MOs

Info

ID:	69639
PubChem CID:	47205066
Reduced:	ION3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	39.61
Dipole, Da:	5.31
IP(EA), eV:	-9.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations