Geometry & MOs

Info

ID:	184392
PubChem CID:	77155017
Reduced:	NF3O4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	-325.95
Dipole, Da:	3.17
IP(EA), eV:	-9.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(dimethylamino)methyl]anilino]-(6-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CO)C(C(F)(F)F)OCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations