Geometry & MOs

Info

ID:	241202
PubChem CID:	96021933
Reduced:	ClF2N2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	264.087433
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	2.57
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(2-fluoropyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations