Geometry & MOs

Info

ID:	241184
PubChem CID:	96021809
Reduced:	NF4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	289.107834
ΔH_f, kcal/mol:	-149.76
Dipole, Da:	3.52
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1CN[C@H](C2=C1C=C(C=C2F)F)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations