Geometry & MOs

Info

ID:	265581
PubChem CID:	103531440
Reduced:	ClNO3C11H20 (1)
Stoich.:	ABC3D11E20 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-156.53
Dipole, Da:	4.98
IP(EA), eV:	-9.5(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)CCCCCl

DOS

IR

Vibrations