Geometry & MOs

Info

ID:	382731
PubChem CID:	134974056
Reduced:	N2O4C5H6 (1)
Stoich.:	A2B4C5D6 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	3.37
IP(EA), eV:	-9.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,9aR)-4-ethyl-7-oxo-1,2,3,4,6,8,9,9a-octahydroquinolizin-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC(=O)OC=[N+]=[N-]

DOS

IR

Vibrations