Geometry & MOs

Info

ID:	378039
PubChem CID:	134224107
Reduced:	NO7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	453.110978
ΔH_f, kcal/mol:	-253.35
Dipole, Da:	17.12
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-1,10-dichloro-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1COC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCOC

DOS

IR

Vibrations