Geometry & MOs

Info

ID:	352075
PubChem CID:	127283143
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-128.35
Dipole, Da:	4.71
IP(EA), eV:	-9.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopentyloxyethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)N2CCOC(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations