Geometry & MOs

Info

ID:	363610
PubChem CID:	127311689
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	289.146013
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	3.7
IP(EA), eV:	-8.94(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CN(CCNC(=O)NCC1COCCO1)C2CC2

DOS

IR

Vibrations