Geometry & MOs

Info

ID:	54894
PubChem CID:	17389502
Reduced:	F2N2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	296.117235
ΔH_f, kcal/mol:	-229.62
Dipole, Da:	2.45
IP(EA), eV:	-8.8(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethanamine;oxalic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=CC(=C2)F)F)CCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations