Geometry & MOs

Info

ID:	225832
PubChem CID:	87226503
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	268.113567
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	9.04
IP(EA), eV:	-8.2(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-ethynyl-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1/C(=C/2\C=C3C(=N2)C=CC=C3S(=O)(=O)C)/C=C(N1)C(=O)NCCN4CCOCC4

DOS

IR

Vibrations