Geometry & MOs

Info

ID:	377967
PubChem CID:	134224034
Reduced:	ClNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	0.72
Dipole, Da:	2.27
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C=N1)Cl)OCC3=CC=CC=C3

DOS

IR

Vibrations