Geometry & MOs

Info

ID:	280202
PubChem CID:	103847548
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	17.24
Dipole, Da:	3.39
IP(EA), eV:	-9.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)-3-[(3-hydroxyoxolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C=CCN(C1CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations