Geometry & MOs

Info

ID:	343234
PubChem CID:	127266407
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	3.74
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCC(=O)NC2=CSN=C2

DOS

IR

Vibrations