Geometry & MOs

Info

ID:	438853
PubChem CID:	135228611
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	545.300205
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	12.06
IP(EA), eV:	-8.95(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CN1C=C(C=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC)O

DOS

IR

Vibrations