Geometry & MOs

Info

ID:	73092
PubChem CID:	48416981
Reduced:	O4N5H11C14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	359.122969
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	6.79
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations