Geometry & MOs

Info

ID:	200644
PubChem CID:	79420972
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	270.040734
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	2.32
IP(EA), eV:	-9.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)I)C(=O)OC

DOS

IR

Vibrations