Geometry & MOs

Info

ID:	10327
PubChem CID:	100498
Reduced:	O5N7C13H15 (1)
Stoich.:	A5B7C13D15 (1)
Weight, g/mol:	349.113467
ΔH_f, kcal/mol:	30.62
Dipole, Da:	6.25
IP(EA), eV:	-10.1(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NCCN3CCNC3=O)C(=CC2=N1)N(O)O)[N+](=O)[O-]

DOS

IR

Vibrations