Geometry & MOs

Info

ID:	271982
PubChem CID:	103708149
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	4.38
IP(EA), eV:	-8.92(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-2-methylsulfanylbutyl)-3-propylurea

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)CNCC(C)(C)CCO

DOS

IR

Vibrations