Geometry & MOs

Info

ID:	56868
PubChem CID:	22394568
Reduced:	NOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	4.66
Dipole, Da:	3.61
IP(EA), eV:	-9.11(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\C3=CN=CO3)/C(=O)N2

DOS

IR

Vibrations