Geometry & MOs

Info

ID:	73070
PubChem CID:	48416935
Reduced:	OS2N5H9C13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	100.83
Dipole, Da:	4.94
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1=CSC=C1C2=NC(=CS2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations