Geometry & MOs

Info

ID:	348079
PubChem CID:	127273141
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	2.9
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-cyclopentyloxypyridin-3-yl)-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CNC(=O)NC2=CN=C(C=C2)OC3CCCC3

DOS

IR

Vibrations