Geometry & MOs

Info

ID:	60783
PubChem CID:	26702157
Reduced:	BrNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	3.19
IP(EA), eV:	-8.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methoxyphenyl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations