Geometry & MOs

Info

ID:	10320
PubChem CID:	100348
Reduced:	O4N5H13C15 (1)
Stoich.:	A4B5C13D15 (1)
Weight, g/mol:	327.096754
ΔH_f, kcal/mol:	100.33
Dipole, Da:	5.81
IP(EA), eV:	-9.99(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzylimino-N,N-dihydroxy-2-methyl-7-nitrobenzimidazol-5-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NCC3=CC=CC=C3)C(=CC2=N1)N(O)O)[N+](=O)[O-]

DOS

IR

Vibrations