Geometry & MOs

Info

ID:	405933
PubChem CID:	135076031
Reduced:	ON2F4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	263.030646
ΔH_f, kcal/mol:	-164.51
Dipole, Da:	7.87
IP(EA), eV:	-9.93(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-7-(trifluoromethyl)-1H-indol-3-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(C)CC1(CC1)C(=O)NC2=C(C(=C(C(=C2F)F)C#N)F)F

DOS

IR

Vibrations