Geometry & MOs

Info

ID:	41242
PubChem CID:	8145520
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	408.059365
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	4.61
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-nitrophenyl) benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations