Geometry & MOs

Info

ID:	299199
PubChem CID:	117678229
Reduced:	FON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	790.277798
ΔH_f, kcal/mol:	8.53
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-tert-butyl-4-[9-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenyl]fluoren-9-yl]phenoxy]phthalic acid

Drug info:

PubChemData

Smile

CC1=NC(=CN1N(C=O)N)C2=CC=CC=C2F

DOS

IR

Vibrations