Geometry & MOs

Info

ID:	178505
PubChem CID:	76338693
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	351.146203
ΔH_f, kcal/mol:	-144.57
Dipole, Da:	5.36
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C=CC1=C(C=C(C=C1)OC)OC)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations