Geometry & MOs

Info

ID:	34583
PubChem CID:	7978695
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	392.125133
ΔH_f, kcal/mol:	-201.0
Dipole, Da:	2.43
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations