Geometry & MOs

Info

ID:	397551
PubChem CID:	135030375
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	3.38
IP(EA), eV:	-9.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@@H](C[C@H](O2)C=O)OC1

DOS

IR

Vibrations