Geometry & MOs

Info

ID:	377800
PubChem CID:	134223865
Reduced:	ClNO5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	445.165601
ΔH_f, kcal/mol:	-178.16
Dipole, Da:	14.34
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-chloro-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4(CC4)COC

DOS

IR

Vibrations