Geometry & MOs

Info

ID:	73023
PubChem CID:	48416821
Reduced:	O3N6H10C16 (1)
Stoich.:	A3B6C10D16 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	84.28
Dipole, Da:	3.15
IP(EA), eV:	-9.58(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-amino-4-cyanopyrazol-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations