Geometry & MOs

Info

ID:	73206
PubChem CID:	48417202
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	294.007516
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	4.63
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,6-dichlorophenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations