Geometry & MOs

Info

ID:	241216
PubChem CID:	96022024
Reduced:	F2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	249.107754
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	6.47
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations