Geometry & MOs

Info

ID:	279434
PubChem CID:	103843908
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	4.92
IP(EA), eV:	-9.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1(CC1)C2=CC=C(C=C2)F)CO

DOS

IR

Vibrations