Geometry & MOs

Info

ID:	377772
PubChem CID:	134223837
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	14.32
IP(EA), eV:	-9.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-(2-methoxyethyl)-2-oxo-6-propan-2-yl-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C#CCCOC

DOS

IR

Vibrations