Geometry & MOs

Info

ID:	241250
PubChem CID:	96022233
Reduced:	NOF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	261.09652
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	1.8
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-[(E)-2-(furan-2-yl)ethenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COCC[C@H]1C2=C(CCN1)C=C(C=C2F)F

DOS

IR

Vibrations