Geometry & MOs

Info

ID:	438873
PubChem CID:	135228633
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	7.32
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-(2-methylpyridin-3-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C)C(C)(C)C

DOS

IR

Vibrations