Geometry & MOs

Info

ID:	378040
PubChem CID:	134224108
Reduced:	NCl2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	477.11509
ΔH_f, kcal/mol:	-200.37
Dipole, Da:	12.46
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=C(C(=O)C(=CN13)C(=O)O)Cl)Cl)OCCCOC

DOS

IR

Vibrations