Geometry & MOs

Info

ID:	82564
PubChem CID:	49856184
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	440.158351
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	2.84
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=CC=C1C=NCC=C

DOS

IR

Vibrations