Geometry & MOs

Info

ID:	371467
PubChem CID:	127346531
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	259.113233
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	6.56
IP(EA), eV:	-8.61(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC2CCN(CC2)C(=O)C3=NC(=NC=C3)N4CCCC4

DOS

IR

Vibrations