Geometry & MOs

Info

ID:	352033
PubChem CID:	127283101
Reduced:	OSN2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	3.16
IP(EA), eV:	-8.7(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-propan-2-ylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCC(C)NC(=O)N1CCSC(C1)C

DOS

IR

Vibrations