Geometry & MOs

Info

ID:	241213
PubChem CID:	96022000
Reduced:	ClF2N2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	239.11217
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	5.73
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-[(2S)-oxolan-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=CC(=NC=C3)Cl

DOS

IR

Vibrations