Geometry & MOs

Info

ID:	241203
PubChem CID:	96021936
Reduced:	N2F3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	264.087433
ΔH_f, kcal/mol:	-82.3
Dipole, Da:	4.35
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-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=C(N=CC=C3)F

DOS

IR

Vibrations