Geometry & MOs

Info

ID:	336024
PubChem CID:	127255031
Reduced:	N4O5H24C28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-91.31
Dipole, Da:	3.15
IP(EA), eV:	-8.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=CC=C21)NC(=O)CN3C4C5=C(C(=C(C=C5)OC)OC)C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations