Geometry & MOs

Info

ID:	7381
PubChem CID:	72316
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	3.23
IP(EA), eV:	-8.07(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

COC=C([C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3)C(=O)OC

DOS

IR

Vibrations