Geometry & MOs

Info

ID:	438984
PubChem CID:	135228745
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	10.9
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-(2-methylpyridin-4-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations