Geometry & MOs

Info

ID:	279148
PubChem CID:	103841684
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	356.0291
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	3.98
IP(EA), eV:	-9.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)N)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations