Geometry & MOs

Info

ID:	363616
PubChem CID:	127311695
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	287.166748
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	4.89
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4CCCCO4

DOS

IR

Vibrations