Geometry & MOs

Info

ID:	138439
PubChem CID:	52367242
Reduced:	ON5C21H28 (1)
Stoich.:	AB5C21D28 (1)
Weight, g/mol:	374.119047
ΔH_f, kcal/mol:	28.07
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.973563
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[1-(difluoromethyl)benzimidazol-2-yl]-N-[(2-methyl-3-nitrophenyl)methoxy]ethanimine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CNCC3=C[NH+]=C(C=C3)N4CCO[C@@H](C4)C

DOS

IR

Vibrations