Geometry & MOs

Info

ID:	82411
PubChem CID:	49856000
Reduced:	N2O2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	4.44
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(=O)C2=CN=C(C=C2)N

DOS

IR

Vibrations