Geometry & MOs

Info

ID:	198987
PubChem CID:	79184582
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	2.68
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylpyrrolidin-1-yl)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC1C)CCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations