Geometry & MOs

Info

ID:	34616
PubChem CID:	7978736
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	420.156433
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC

DOS

IR

Vibrations