Geometry & MOs

Info

ID:	303188
PubChem CID:	124489333
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	6.32
IP(EA), eV:	-9.18(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations