Geometry & MOs

Info

ID:	27444
PubChem CID:	821363
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	328.191269
ΔH_f, kcal/mol:	-180.69
Dipole, Da:	3.16
IP(EA), eV:	-9.97(0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[(1R)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@]2([C@@]1(C[C@H]([C@@H](C2)O)C(=O)C)O)C

DOS

IR

Vibrations