Geometry & MOs

Info

ID:	283067
PubChem CID:	103956510
Reduced:	ClINO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	338.06299
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	5.55
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)I)Cl)O

DOS

IR

Vibrations