Geometry & MOs

Info

ID:	357795
PubChem CID:	127294638
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	6.0
IP(EA), eV:	-8.7(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)NC3CCC3

DOS

IR

Vibrations