Geometry & MOs

Info

ID:	183910
PubChem CID:	77089073
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	3.77
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloronaphthalen-1-yl)-[4-(4-methoxybutyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)NC2CCOC2

DOS

IR

Vibrations