Geometry & MOs

Info

ID:	241234
PubChem CID:	96022161
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	249.132906
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	2.51
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations