Geometry & MOs

Info

ID:	241190
PubChem CID:	96021847
Reduced:	F2N2O2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	284.112505
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	4.11
IP(EA), eV:	-9.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=CC(=CN=C3)C(=O)O

DOS

IR

Vibrations