Geometry & MOs

Info

ID:	438939
PubChem CID:	135228700
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	558.28422
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	9.24
IP(EA), eV:	-9.8(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C#N

DOS

IR

Vibrations