Geometry & MOs

Info

ID:	241254
PubChem CID:	96022249
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	195.085956
ΔH_f, kcal/mol:	-92.7
Dipole, Da:	2.37
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-ethenyl-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)CCOC3=CC=CC=C3

DOS

IR

Vibrations