Geometry & MOs

Info

ID:	309332
PubChem CID:	126545254
Reduced:	ON3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	608.325023
ΔH_f, kcal/mol:	38.49
Dipole, Da:	7.62
IP(EA), eV:	-8.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6,7-bis(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol

Drug info:

PubChemData

Smile

CC(C)(C)N/C=C\N=CN=O

DOS

IR

Vibrations