Geometry & MOs

Info

ID:	223372
PubChem CID:	85334928
Reduced:	NPO5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-250.27
Dipole, Da:	4.27
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethyl-2,3-dihydroindol-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(C(COP(=O)(O)O)N)O

DOS

IR

Vibrations