Geometry & MOs

Info

ID:	335117
PubChem CID:	127253978
Reduced:	NO7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-226.67
Dipole, Da:	3.1
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-N-methyl-2-[(2S)-2-(3-oxo-1H-isoindol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)O)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O

DOS

IR

Vibrations