Geometry & MOs

Info

ID:	348055
PubChem CID:	127273117
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	5.34
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-cyclopentyloxypyridin-3-yl)-1-ethyl-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations