Geometry & MOs

Info

ID:	34575
PubChem CID:	7978685
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	1.08
IP(EA), eV:	-8.94(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCCOC4=CC=CC=C4

DOS

IR

Vibrations