Geometry & MOs

Info

ID:	224955
PubChem CID:	85735125
Reduced:	FNO2C27H46 (1)
Stoich.:	ABC2D27E46 (1)
Weight, g/mol:	451.065179
ΔH_f, kcal/mol:	-203.39
Dipole, Da:	1.81
IP(EA), eV:	-9.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methoxyphenyl)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=C(C=C1)F)N

DOS

IR

Vibrations