Geometry & MOs

Info

ID:	209674
PubChem CID:	80701656
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	269.091275
ΔH_f, kcal/mol:	-1.64
Dipole, Da:	3.4
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-cyanoanilino)-2-oxoethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CCC(=O)NCCC2=CSC=N2

DOS

IR

Vibrations