Geometry & MOs

Info

ID:	279383
PubChem CID:	103843592
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	313.155705
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	1.92
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=NOC(=C1)C2=CC=CO2)CO

DOS

IR

Vibrations