Geometry & MOs

Info

ID:	377822
PubChem CID:	134223887
Reduced:	ClNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	417.134301
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	11.06
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-9-(3-methoxycyclobutyl)oxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)Cl)OC4CC(C4)OC)C(C)C

DOS

IR

Vibrations