Geometry & MOs

Info

ID:	351905
PubChem CID:	127282823
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-145.01
Dipole, Da:	4.24
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(3-propan-2-ylcyclohexyl)urea

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)NC2=NC(=CS2)CN3CCOCC3)O

DOS

IR

Vibrations