Geometry & MOs

Info

ID:	241215
PubChem CID:	96022008
Reduced:	NOF2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.107754
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	2.85
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations