Geometry & MOs

Info

ID:	278860
PubChem CID:	103839158
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	2.97
IP(EA), eV:	-8.69(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-methylphenyl)-3-(oxolan-3-yl)urea

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC(=O)NC2CCOC2

DOS

IR

Vibrations