Geometry & MOs

Info

ID:	279140
PubChem CID:	103841647
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	356.0291
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	5.41
IP(EA), eV:	-8.89(-0.82)
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)-3-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations