Geometry & MOs

Info

ID:	439102
PubChem CID:	135228865
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	430.225643
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	9.59
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)C)C(C)C

DOS

IR

Vibrations