Geometry & MOs

Info

ID:	377787
PubChem CID:	134223852
Reduced:	NO7C24H29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	381.113171
ΔH_f, kcal/mol:	-257.97
Dipole, Da:	13.75
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC

DOS

IR

Vibrations