Geometry & MOs

Info

ID:	196588
PubChem CID:	78851737
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	3.39
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(3-cyclopentylpropyl)urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCC(CC1)C2=CC=C(C=C2)O)N3CCOCC3

DOS

IR

Vibrations