Geometry & MOs

Info

ID:	205832
PubChem CID:	80163507
Reduced:	O2F3N4H9C10 (1)
Stoich.:	A2B3C4D9E10 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	-124.15
Dipole, Da:	5.44
IP(EA), eV:	-9.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)NCCC(F)(F)F

DOS

IR

Vibrations