Geometry & MOs

Info

ID:	198591
PubChem CID:	79120887
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	3.6
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N(C)C2CCC(CC2)N

DOS

IR

Vibrations