Geometry & MOs

Info

ID:	377799
PubChem CID:	134223864
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	431.149951
ΔH_f, kcal/mol:	-78.98
Dipole, Da:	14.36
IP(EA), eV:	-9.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-chloro-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6-propan-2-yl-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)C#CC4CC4

DOS

IR

Vibrations