Geometry & MOs

Info

ID:	241596
PubChem CID:	96023795
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	295.082013
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	2.51
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-difluoro-4-hydroxyphenyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations