Geometry & MOs

Info

ID:	235519
PubChem CID:	92709897
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	379.262363
ΔH_f, kcal/mol:	-20.9
Dipole, Da:	6.44
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NC2=CC=CC(=C2)C(=O)C)N3C=CC=C3

DOS

IR

Vibrations