Geometry & MOs

Info

ID:	358227
PubChem CID:	127295772
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-194.37
Dipole, Da:	5.16
IP(EA), eV:	-9.52(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethyl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations