Geometry & MOs

Info

ID:	202141
PubChem CID:	79635362
Reduced:	ON3C15H33 (1)
Stoich.:	AB3C15D33 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	2.96
IP(EA), eV:	-8.67(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)N(C)CCN(C)C)CO

DOS

IR

Vibrations