Geometry & MOs

Info

ID:	241235
PubChem CID:	96022162
Reduced:	NF2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	249.132906
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	2.11
IP(EA), eV:	-9.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-cyclohex-3-en-1-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations