Geometry & MOs

Info

ID:	241512
PubChem CID:	96023526
Reduced:	FON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	3.21
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations