Geometry & MOs

Info

ID:	356102
PubChem CID:	127291138
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-160.21
Dipole, Da:	9.48
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(4-methylcyclohexyl)-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations