Geometry & MOs

Info

ID:	350281
PubChem CID:	127277359
Reduced:	OF3N5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	354.99901
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	10.63
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)NCC3CCN(C3)CC(F)(F)F

DOS

IR

Vibrations