Geometry & MOs

Info

ID:	46407
PubChem CID:	10524282
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	387.219829
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	1.44
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpiperidin-4-yl)-3-(3-methoxynaphthalen-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H](CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations