Geometry & MOs

Info

ID:	335220
PubChem CID:	127254081
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	4.25
IP(EA), eV:	-8.99(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2)O.Cl

DOS

IR

Vibrations