Geometry & MOs

Info

ID:	279421
PubChem CID:	103843888
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	4.22
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C2=CC=CC=C2S1)C)CO

DOS

IR

Vibrations