Geometry & MOs

Info

ID:	334816
PubChem CID:	127253491
Reduced:	ClN4O5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	9.37
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations