Geometry & MOs

Info

ID:	10321
PubChem CID:	100352
Reduced:	O4N5H11C14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	313.081104
ΔH_f, kcal/mol:	105.07
Dipole, Da:	5.37
IP(EA), eV:	-9.61(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dihydroxy-2-methyl-7-nitro-6-phenyliminobenzimidazol-5-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NC3=CC=CC=C3)C(=CC2=N1)N(O)O)[N+](=O)[O-]

DOS

IR

Vibrations