Geometry & MOs

Info

ID:	242090
PubChem CID:	96025684
Reduced:	N2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	33.75
Dipole, Da:	2.29
IP(EA), eV:	-8.66(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)CNCC3=CC=CC=C3

DOS

IR

Vibrations