Geometry & MOs

Info

ID:	241923
PubChem CID:	96024634
Reduced:	FN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	2.33
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations