Geometry & MOs

Info

ID:	144678
PubChem CID:	53396682
Reduced:	BrNO2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	488.198759
ΔH_f, kcal/mol:	2.07
Dipole, Da:	2.43
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibenzhydrylideneheptanedioic acid

Drug info:

PubChemData

Smile

C[N+](=CC1=CC=C(O1)Br)[O-]

DOS

IR

Vibrations