Geometry & MOs

Info

ID:	13315
PubChem CID:	225464
Reduced:	N2O4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	208.048407
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	4.45
IP(EA), eV:	-9.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(nitromethyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)N2)(C[N+](=O)[O-])O

DOS

IR

Vibrations