Geometry & MOs

Info

ID:	149848
PubChem CID:	53789527
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	22.06
Dipole, Da:	5.08
IP(EA), eV:	-8.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclohexyl-4-methoxyphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CN1CCC23[C@@H]4[C@]5(C=C[C@]2(C1CC6=C3C(=C(C=C6)OC)O4)C[C@@H]5C7=NN=C(O7)C8=CC=CC=C8)OC

DOS

IR

Vibrations