Geometry & MOs

Info

ID:	283752
PubChem CID:	104004042
Reduced:	BrINO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	2.33
IP(EA), eV:	-9.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1CO)C(=O)C2=C(C=CC(=C2)I)Br

DOS

IR

Vibrations