Geometry & MOs

Info

ID:	303141
PubChem CID:	124489263
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	5.51
IP(EA), eV:	-9.16(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)N2CC[C@@H](C2)CNC

DOS

IR

Vibrations