Geometry & MOs

Info

ID:	10329
PubChem CID:	100500
Reduced:	O5N7C12H13 (1)
Stoich.:	A5B7C12D13 (1)
Weight, g/mol:	335.097817
ΔH_f, kcal/mol:	47.92
Dipole, Da:	3.98
IP(EA), eV:	-9.91(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(dihydroxyamino)-4-nitrobenzimidazol-5-ylidene]amino]ethyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)CCN=C2C(=CC3=NC=NC3=C2[N+](=O)[O-])N(O)O

DOS

IR

Vibrations