Geometry & MOs

Info

ID:	34474
PubChem CID:	7978517
Reduced:	ClO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	316.093833
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	7.81
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations