Geometry & MOs

Info

ID:	73025
PubChem CID:	48416826
Reduced:	O3N5H9C13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	349.057782
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	2.82
IP(EA), eV:	-9.42(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-amino-4-cyanopyrazole-1-carbonyl)-2-chloro-6-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations