Geometry & MOs

Info

ID:	241515
PubChem CID:	96023536
Reduced:	FON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	294.116841
ΔH_f, kcal/mol:	7.38
Dipole, Da:	6.01
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)/C(=C/C3=CC=CC=C3)/C#N

DOS

IR

Vibrations