Geometry & MOs

Info

ID:	346750
PubChem CID:	127271254
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	313.200156
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	3.14
IP(EA), eV:	-9.35(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)CNC(=O)NCC3COCCO3

DOS

IR

Vibrations