Geometry & MOs

Info

ID:	241678
PubChem CID:	96023991
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	2.04
IP(EA), eV:	-8.76(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-phenylethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations