Geometry & MOs

Info

ID:	32009
PubChem CID:	4242284
Reduced:	BrNC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	477.092062
ΔH_f, kcal/mol:	49.03
Dipole, Da:	2.21
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(4-nitrophenyl)-2-[(4-nitrophenyl)methylidene]propanediamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=C(C3=C(N2)C(=CC=C3)Br)CCCCN

DOS

IR

Vibrations