Geometry & MOs

Info

ID:	241958
PubChem CID:	96024814
Reduced:	ClNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	10.4
Dipole, Da:	2.24
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CCC3=CC=CC=C3Cl)C=C1)C

DOS

IR

Vibrations