Geometry & MOs

Info

ID:	241217
PubChem CID:	96022025
Reduced:	F2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	266.068926
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	4.21
IP(EA), eV:	-9.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C=NC=C1[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations