Geometry & MOs

Info

ID:	241908
PubChem CID:	96024564
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	34.1
Dipole, Da:	2.31
IP(EA), eV:	-8.78(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(=C)CC3=CC=CC=C3

DOS

IR

Vibrations