Geometry & MOs

Info

ID:	241212
PubChem CID:	96021993
Reduced:	NOF2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	280.057882
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	2.76
IP(EA), eV:	-9.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=COC=C3

DOS

IR

Vibrations