Geometry & MOs

Info

ID:	439060
PubChem CID:	135228823
Reduced:	NOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	502.258006
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	2.98
IP(EA), eV:	-8.98(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CC(C2CCCC2)O

DOS

IR

Vibrations