Geometry & MOs

Info

ID:	439142
PubChem CID:	135228907
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	530.289306
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	7.6
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)C)C(C)(C)C)C4=CN=C(N=C4)C

DOS

IR

Vibrations