Geometry & MOs

Info

ID:	241209
PubChem CID:	96021961
Reduced:	NF2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	261.132906
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	3.5
IP(EA), eV:	-9.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CCC(C1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations