Geometry & MOs

Info

ID:	34477
PubChem CID:	7978521
Reduced:	N2O2H9C10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	8.15
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamidophenyl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations