Geometry & MOs

Info

ID:	303125
PubChem CID:	124489243
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	3.96
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations