Geometry & MOs

Info

ID:	377802
PubChem CID:	134223867
Reduced:	NO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	447.144865
ΔH_f, kcal/mol:	-162.16
Dipole, Da:	9.93
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-chloro-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2CCC3=CC(=C(C=C3C2=CC1=O)OC)O

DOS

IR

Vibrations