Geometry & MOs

Info

ID:	377823
PubChem CID:	134223888
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	431.149951
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	14.27
IP(EA), eV:	-9.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OC4CC(C4)OC

DOS

IR

Vibrations