Geometry & MOs

Info

ID:	60784
PubChem CID:	26702158
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	5.35
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations