Geometry & MOs

Info

ID:	438982
PubChem CID:	135228743
Reduced:	NC22H31 (1)
Stoich.:	AB22C31 (1)
Weight, g/mol:	530.25292
ΔH_f, kcal/mol:	5.48
Dipole, Da:	3.83
IP(EA), eV:	-8.08(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2CC(=C)C(=CN2)C(=C)C)CCC(C)C

DOS

IR

Vibrations