Geometry & MOs

Info

ID:	146017
PubChem CID:	53624629
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	466.195109
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	5.36
IP(EA), eV:	-9.02(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCCN2C(=O)CC3=C(ON=C3C)C

DOS

IR

Vibrations