Geometry & MOs

Info

ID:	167557
PubChem CID:	74845514
Reduced:	NO5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	4.99
IP(EA), eV:	-8.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(cyclohexylmethylamino)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations