Geometry & MOs

Info

ID:	241308
PubChem CID:	96022625
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	2.84
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,4-dimethylphenyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2C3=C(CCN2)C=CC(=C3F)O)O

DOS

IR

Vibrations