Geometry & MOs

Info

ID:	265579
PubChem CID:	103531430
Reduced:	BrNO3C11H20 (1)
Stoich.:	ABC3D11E20 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-142.04
Dipole, Da:	3.93
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)phenyl]-(3,4-dimethoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC(C(C1)OC)OC)Br

DOS

IR

Vibrations