Geometry & MOs

Info

ID:	34573
PubChem CID:	7978683
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	3.86
IP(EA), eV:	-9.19(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations