Geometry & MOs

Info

ID:	279390
PubChem CID:	103843681
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	2.93
IP(EA), eV:	-9.98(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1(CCCCC1)C#N)CO

DOS

IR

Vibrations