Geometry & MOs

Info

ID:	363608
PubChem CID:	127311687
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	273.151098
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	2.38
IP(EA), eV:	-8.88(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CN(CCNC(=O)NC1CCOCC1)C2CC2

DOS

IR

Vibrations