Geometry & MOs

Info

ID:	335207
PubChem CID:	127254068
Reduced:	ClNO4C18H28 (1)
Stoich.:	ABC4D18E28 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-195.6
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2)O.Cl

DOS

IR

Vibrations