Geometry & MOs

Info

ID:	169254
PubChem CID:	75080582
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	4.06
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-methylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CCCC(C#N)N1CCC2=CC(=C(C=C2C1CC=CC(=O)OC)OC)OC

DOS

IR

Vibrations