Geometry & MOs

Info

ID:	82886
PubChem CID:	49856750
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	1.83
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6,7-dimethoxy-3-[2-(methoxycarbonylamino)phenyl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4N=C3OC)N=C2OC)OC

DOS

IR

Vibrations