Geometry & MOs

Info

ID:	189523
PubChem CID:	77868038
Reduced:	FO2N3C11H17 (2)
Stoich.:	AB2C3D11E17 (2)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-238.4
Dipole, Da:	4.87
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-3-[[[4-(dimethylamino)cyclohexyl]amino]-(4-methylphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCN(CCNN(C)C(=O)CNCCCF)C1=C(C=C(C=C1)N2CC(OC2=O)CNC(=O)C)F

DOS

IR

Vibrations