Geometry & MOs

Info

ID:	280203
PubChem CID:	103847560
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	6.46
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)NC2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations