Geometry & MOs

Info

ID:	334456
PubChem CID:	127253008
Reduced:	N5O5C24H27 (1)
Stoich.:	A5B5C24D27 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-157.94
Dipole, Da:	8.19
IP(EA), eV:	-8.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C(C=C3)N(C(=O)N4C)C)O

DOS

IR

Vibrations