Geometry & MOs

Info

ID:	73190
PubChem CID:	48417172
Reduced:	O3N5H9C12 (1)
Stoich.:	A3B5C9D12 (1)
Weight, g/mol:	343.963459
ΔH_f, kcal/mol:	52.2
Dipole, Da:	7.14
IP(EA), eV:	-9.48(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,4,5-trichlorophenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)N2C(=C(C=N2)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations