Geometry & MOs

Info

ID:	14627
PubChem CID:	416387
Reduced:	O4N7H27C28 (1)
Stoich.:	A4B7C27D28 (1)
Weight, g/mol:	525.212452
ΔH_f, kcal/mol:	39.77
Dipole, Da:	3.76
IP(EA), eV:	-8.97(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CN1CCN=C1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5C)[N+](=O)[O-]

DOS

IR

Vibrations