Geometry & MOs

Info

ID:	377791
PubChem CID:	134223856
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	461.160515
ΔH_f, kcal/mol:	-209.46
Dipole, Da:	15.5
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-chloro-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-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)OC)OCC4(CC4)COC

DOS

IR

Vibrations