Geometry & MOs

Info

ID:	303155
PubChem CID:	124489279
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	3.26
IP(EA), eV:	-9.02(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CC[C@@H](C2)CNC

DOS

IR

Vibrations