Geometry & MOs

Info

ID:	439112
PubChem CID:	135228876
Reduced:	ON2F4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	487.247107
ΔH_f, kcal/mol:	-215.57
Dipole, Da:	5.41
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-methoxy-9-(6-morpholin-4-ylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

C1CC(CCC(C1)C(F)(F)F)C(CC2C3=C(C=CC=C3F)C4=CN=CN24)O

DOS

IR

Vibrations