Geometry & MOs

Info

ID:	241514
PubChem CID:	96023534
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	294.116841
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	5.26
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations