Geometry & MOs

Info

ID:	205787
PubChem CID:	80157749
Reduced:	FSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	272.102174
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	5.14
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CSC1(CCN(CC1)CC2=CC(=C(C=C2)[N+](=O)[O-])F)C#N

DOS

IR

Vibrations