Geometry & MOs

Info

ID:	34588
PubChem CID:	7978700
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	421.140449
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	0.9
IP(EA), eV:	-9.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations