Geometry & MOs

Info

ID:	171930
PubChem CID:	75442940
Reduced:	ClFN2O3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	356.170922
ΔH_f, kcal/mol:	-185.57
Dipole, Da:	5.9
IP(EA), eV:	-9.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-3-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)NC1=CC(=CC(=C1)Cl)F)(CO)CO

DOS

IR

Vibrations