Geometry & MOs

Info

ID:	342871
PubChem CID:	127266034
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	2.13
IP(EA), eV:	-9.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylphenyl)-1-ethyl-1-(oxetan-3-yl)urea

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC(=O)C2=NC(=NN2C)C3CC3

DOS

IR

Vibrations