Geometry & MOs

Info

ID:	34561
PubChem CID:	7978671
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	405.181919
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	6.23
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)C

DOS

IR

Vibrations