Geometry & MOs

Info

ID:	73173
PubChem CID:	48417145
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	8.33
Dipole, Da:	8.39
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations