Geometry & MOs

Info

ID:	377792
PubChem CID:	134223857
Reduced:	ClNO6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	395.128821
ΔH_f, kcal/mol:	-221.83
Dipole, Da:	13.25
IP(EA), eV:	-9.47(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4(COC4)COC

DOS

IR

Vibrations