Geometry & MOs

Info

ID:	73364
PubChem CID:	48417527
Reduced:	SO3N6C15H16 (1)
Stoich.:	AB3C6D15E16 (1)
Weight, g/mol:	280.107259
ΔH_f, kcal/mol:	-12.75
Dipole, Da:	5.89
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(benzimidazol-1-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations