Geometry & MOs

Info

ID:	377806
PubChem CID:	134223871
Reduced:	NO7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	445.165601
ΔH_f, kcal/mol:	-265.84
Dipole, Da:	13.76
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-chloro-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-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)O[C@@H]4CCOC4

DOS

IR

Vibrations