Geometry & MOs

Info

ID:	448834
PubChem CID:	135293915
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	1.98
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(8-methoxynaphthalen-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3CCCC3

DOS

IR

Vibrations