Geometry & MOs

Info

ID:	356807
PubChem CID:	127292347
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	300.204907
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	4.34
IP(EA), eV:	-8.52(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethyl)-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations