Geometry & MOs

Info

ID:	185574
PubChem CID:	77315041
Reduced:	O2N8C26H29 (1)
Stoich.:	A2B8C26D29 (1)
Weight, g/mol:	686.356717
ΔH_f, kcal/mol:	38.33
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860232
Charge, e:	0

Chem-info

IUPAC name:

5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+]3CCCC(C3)N)N(C2C(=O)N(C1=O)CC4=CC=CC=C4C#N)CC5=CC=CC=C5N

DOS

IR

Vibrations