Geometry & MOs

Info

ID:	265580
PubChem CID:	103531439
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	249.113171
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	7.01
IP(EA), eV:	-9.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=CC=C(C=C2)CBr

DOS

IR

Vibrations