Geometry & MOs

Info

ID:	235477
PubChem CID:	92709766
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	18.7
Dipole, Da:	3.99
IP(EA), eV:	-8.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-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