Geometry & MOs

Info

ID:	73135
PubChem CID:	48417059
Reduced:	O2N6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	81.26
Dipole, Da:	2.42
IP(EA), eV:	-9.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations