Geometry & MOs

Info

ID:	241924
PubChem CID:	96024638
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	2.02
IP(EA), eV:	-8.7(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations