Geometry & MOs

Info

ID:	55882
PubChem CID:	17396937
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	1.13
IP(EA), eV:	-9.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(2-methylfuran-3-yl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2CC2)CCC3=CC=CC=C3

DOS

IR

Vibrations