Geometry & MOs

Info

ID:	193303
PubChem CID:	78373906
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	332.075684
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	3.78
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations