Geometry & MOs

Info

ID:	284544
PubChem CID:	104051649
Reduced:	Br2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	2.69
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-pyrrolidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C(CC(=O)O)Br)C)Br

DOS

IR

Vibrations