Geometry & MOs

Info

ID:	438991
PubChem CID:	135228752
Reduced:	O4N5C29H35 (1)
Stoich.:	A4B5C29D35 (1)
Weight, g/mol:	504.273656
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	13.31
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[2-(dipropylamino)pyrimidin-5-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=N2)C3=C(C=C4C(=C3)CC(N5C4=CC(=O)C(=C5)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations