Geometry & MOs

Info

ID:	216778
PubChem CID:	85086759
Reduced:	INO3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	2.45
IP(EA), eV:	-9.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(2-phenylethenyl)-3-propyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCOCC(CI)OC(=O)N

DOS

IR

Vibrations