Geometry & MOs

Info

ID:	73304
PubChem CID:	48417399
Reduced:	SO4N6C15H18 (1)
Stoich.:	AB4C6D15E18 (1)
Weight, g/mol:	281.091275
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	4.71
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations