Geometry & MOs

Info

ID:	193083
PubChem CID:	78340043
Reduced:	ClN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	373.982089
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	4.03
IP(EA), eV:	-9.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)Cl)C5=CC=CC=N5

DOS

IR

Vibrations