Geometry & MOs

Info

ID:	438990
PubChem CID:	135228751
Reduced:	N4O4C29H34 (1)
Stoich.:	A4B4C29D34 (1)
Weight, g/mol:	517.268905
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	7.94
IP(EA), eV:	-8.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-10-methoxy-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=C(N=C4)NC5CCC5)C(C)(C)C

DOS

IR

Vibrations