Geometry & MOs

Info

ID:	318583
PubChem CID:	126652113
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	7.05
IP(EA), eV:	-8.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-N-propan-2-yl-4-propan-2-yloxyanilino)-3-methyl-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N(C2CCCC2)C3=C(C4=C(N3)C=C(C=C4)C#N)C)F

DOS

IR

Vibrations