Geometry & MOs

Info

ID:	279220
PubChem CID:	103842144
Reduced:	BrClNOC11H11 (1)
Stoich.:	ABCDE11F11 (1)
Weight, g/mol:	302.96617
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	4.36
IP(EA), eV:	-9.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C=C)NC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations