Geometry & MOs

Info

ID:	8021
PubChem CID:	74757
Reduced:	N3O5C8H9 (1)
Stoich.:	A3B5C8D9 (1)
Weight, g/mol:	227.05422
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	6.61
IP(EA), eV:	-9.97(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dinitroanilino)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations