Geometry & MOs

Info

ID:	438733
PubChem CID:	135228486
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	7.8
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-(1,2-dihydroxypropyl)-9-[6-(dimethylamino)pyridin-3-yl]-10-methoxy-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=C(C2=CC1=O)C=C(C(=C3)C)OC)C(C)C

DOS

IR

Vibrations