Geometry & MOs

Info

ID:	377793
PubChem CID:	134223858
Reduced:	ClNO3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	13.34
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-methoxy-9-[(3-methoxycyclobutyl)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)Cl)C#CC4CC4

DOS

IR

Vibrations