Geometry & MOs

Info

ID:	30623
PubChem CID:	841583
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	292.109944
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	5.82
IP(EA), eV:	-9.09(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propan-2-yloxyphenyl)methylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)C2CC2)C)C(=O)C3CC3

DOS

IR

Vibrations