Geometry & MOs

Info

ID:	344078
PubChem CID:	127267254
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	280.108402
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	3.86
IP(EA), eV:	-9.24(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-2-yl)-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NC(C)C2=NNC(=O)N2C

DOS

IR

Vibrations