Geometry & MOs

Info

ID:	34455
PubChem CID:	7978486
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	392.1139
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	2.83
IP(EA), eV:	-8.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)Cl

DOS

IR

Vibrations