Geometry & MOs

Info

ID:	53918
PubChem CID:	14718377
Reduced:	N4O11C42H56 (1)
Stoich.:	A4B11C42D56 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-379.3
Dipole, Da:	4.87
IP(EA), eV:	-7.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-oxopentyl)-5-propyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC\1CC(C(C(C(C(C(/C=C/OC2(C(=O)C3=C(O2)C(=C(C4=C3C(=O)/C(=C\NN5CCN(CC5)C)/C(=C4O)NC(=O)/C=C/C=C1)O)C)C)OC)C)OC(=O)C)C)O)C

DOS

IR

Vibrations