Geometry & MOs

Info

ID:	8338
PubChem CID:	76609
Reduced:	N3O3C7H7 (1)
Stoich.:	A3B3C7D7 (1)
Weight, g/mol:	181.048741
ΔH_f, kcal/mol:	10.74
Dipole, Da:	1.05
IP(EA), eV:	-10.34(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-5-nitropyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(N(C(=C1)[N+](=O)[O-])CCO)C#N

DOS

IR

Vibrations