Geometry & MOs

Info

ID:	267261
PubChem CID:	103581573
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	342.04984
ΔH_f, kcal/mol:	40.25
Dipole, Da:	3.91
IP(EA), eV:	-9.61(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC2=CC(=C(C=C2)Br)Cl)[N+](=O)[O-]

DOS

IR

Vibrations