Geometry & MOs

Info

ID:	396737
PubChem CID:	135029116
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	1.56
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](CO)[C@@H]1C2=CC=CC=C2CCN1C3=CC=CC=C3

DOS

IR

Vibrations