Geometry & MOs

Info

ID:	363072
PubChem CID:	127310103
Reduced:	SO3N6C17H22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	392.253589
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations