Geometry & MOs

Info

ID:	438933
PubChem CID:	135228694
Reduced:	O10C25H34 (1)
Stoich.:	A10B25C34 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-406.15
Dipole, Da:	6.0
IP(EA), eV:	-8.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyoxiran-2-yl)-10-methoxy-9-(6-methylpyridin-3-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@H](CO)C(CC2=CC(=C(C=C2)O)OC)CO[C@H]3C([C@H]([C@@H](CO3)O)O)O)O

DOS

IR

Vibrations