Geometry & MOs

Info

ID:	241670
PubChem CID:	96023963
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	1.83
IP(EA), eV:	-8.75(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CCC3=CC=C(C=C3)O)C=C1)C

DOS

IR

Vibrations