Geometry & MOs

Info

ID:	175125
PubChem CID:	75859064
Reduced:	N2O5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	4.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885108
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)N3CC4=CC=CC=C4CC3C(=O)OC)OC

DOS

IR

Vibrations