Geometry & MOs

Info

ID:	130826
PubChem CID:	51115100
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	7.23
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)C#N

DOS

IR

Vibrations