Geometry & MOs

Info

ID:	130840
PubChem CID:	51116248
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	2.78
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1CCS(=O)(=O)OC3=CC=CC=C3

DOS

IR

Vibrations