Geometry & MOs

Info

ID:	241676
PubChem CID:	96023984
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	17.1
Dipole, Da:	1.83
IP(EA), eV:	-8.65(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-phenylethanol

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1C2=C(CCN1)C=C(C(=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations