Geometry & MOs

Info

ID:	34535
PubChem CID:	7978636
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	363.134969
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	5.16
IP(EA), eV:	-9.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)COC4=CC=C(C=C4)C#N

DOS

IR

Vibrations