Geometry & MOs

Info

ID:	270684
PubChem CID:	103637663
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	1.41
IP(EA), eV:	-8.88(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-ethylhexyl)-1-methylurea

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2(CCCC2)C#N

DOS

IR

Vibrations