Geometry & MOs

Info

ID:	235594
PubChem CID:	92710124
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	23.32
Dipole, Da:	5.78
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NCC2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations