Geometry & MOs

Info

ID:	217586
PubChem CID:	85088062
Reduced:	ON3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	381.335528
ΔH_f, kcal/mol:	54.17
Dipole, Da:	5.9
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(heptadecylamino)-3-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCC(=O)NC1C2CCC(CC2NN1)C3=CC=C(C=C3)C#CC4=CC=CC=C4

DOS

IR

Vibrations