Geometry & MOs

Info

ID:	334988
PubChem CID:	127253794
Reduced:	N3O8C32H37 (1)
Stoich.:	A3B8C32D37 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-291.75
Dipole, Da:	5.1
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)N[C@@H](C(C)C)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations