Geometry & MOs

Info

ID:	198986
PubChem CID:	79184581
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	265.123342
ΔH_f, kcal/mol:	26.64
Dipole, Da:	4.37
IP(EA), eV:	-8.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC1C)CC2=CC3=CC=CC=C3N=C2N

DOS

IR

Vibrations