Geometry & MOs

Info

ID:	192633
PubChem CID:	78294618
Reduced:	ON6C26H34 (1)
Stoich.:	AB6C26D34 (1)
Weight, g/mol:	377.133533
ΔH_f, kcal/mol:	42.17
Dipole, Da:	1.52
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(diethylamino)-3-nitrophenyl]ethenyl]-5-nitro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3CC(NN3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations