Geometry & MOs

Info

ID:	192712
PubChem CID:	78303511
Reduced:	N2O3C7H7 (2)
Stoich.:	A2B3C7D7 (2)
Weight, g/mol:	349.102233
ΔH_f, kcal/mol:	-64.22
Dipole, Da:	7.15
IP(EA), eV:	-10.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C=CC2C(C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations