Geometry & MOs

Info

ID:	241909
PubChem CID:	96024568
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	3.56
IP(EA), eV:	-8.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@H]2C3=C(CCN2)C=CC(=C3C)C)O

DOS

IR

Vibrations