Geometry & MOs

Info

ID:	355944
PubChem CID:	127290796
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	5.44
IP(EA), eV:	-8.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopentyloxyethyl)-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations