Geometry & MOs

Info

ID:	233708
PubChem CID:	92092981
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	339.137162
ΔH_f, kcal/mol:	-24.15
Dipole, Da:	8.35
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations