Geometry & MOs

Info

ID:	241242
PubChem CID:	96022189
Reduced:	F2N2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	260.112505
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	2.98
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations