Geometry & MOs

Info

ID:	303126
PubChem CID:	124489244
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	300.079619
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	6.41
IP(EA), eV:	-9.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations