Geometry & MOs

Info

ID:	69931
PubChem CID:	47205796
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-87.07
Dipole, Da:	4.06
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CS1)C(=O)CNC(=O)C2CC2

DOS

IR

Vibrations