Geometry & MOs

Info

ID:	345232
PubChem CID:	127268992
Reduced:	SO3N6C14H20 (1)
Stoich.:	AB3C6D14E20 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-26.04
Dipole, Da:	6.24
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations