Geometry & MOs

Info

ID:	132011
PubChem CID:	51290579
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	4.4
IP(EA), eV:	-8.49(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)NCCCOCC2CC2

DOS

IR

Vibrations