Geometry & MOs

Info

ID:	359054
PubChem CID:	127297298
Reduced:	FN3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	359.155767
ΔH_f, kcal/mol:	-11.58
Dipole, Da:	3.22
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NN=C3N2CCCC3)C4=NC(=NC5=CC=CC=C54)C(F)F

DOS

IR

Vibrations