Geometry & MOs

Info

ID:	265578
PubChem CID:	103531428
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	293.06266
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	6.42
IP(EA), eV:	-9.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(3,4-dimethoxypyrrolidin-1-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C(C2=CC=CC=C2)Cl

DOS

IR

Vibrations