Geometry & MOs

Info

ID:	355960
PubChem CID:	127290950
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	2.38
IP(EA), eV:	-9.51(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1CCCOC1)CN2C=CC=N2

DOS

IR

Vibrations