Geometry & MOs

Info

ID:	202113
PubChem CID:	79630522
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	327.07464
ΔH_f, kcal/mol:	26.14
Dipole, Da:	5.86
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)heptan-2-amine

Drug info:

PubChemData

Smile

CC(C)(CN1C=CN=C1C2=CC=CS2)C(=O)NN

DOS

IR

Vibrations