Geometry & MOs

Info

ID:	241513
PubChem CID:	96023533
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	4.25
IP(EA), eV:	-8.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations