Geometry & MOs

Info

ID:	3975
PubChem CID:	10518
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-141.19
Dipole, Da:	2.4
IP(EA), eV:	-9.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2

DOS

IR

Vibrations