Geometry & MOs

Info

ID:	335215
PubChem CID:	127254076
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	335.061047
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	2.48
IP(EA), eV:	-8.61(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2)O

DOS

IR

Vibrations