Geometry & MOs

Info

ID:	315383
PubChem CID:	126625782
Reduced:	ClO2F3N5C23H29 (1)
Stoich.:	AB2C3D5E23F29 (1)
Weight, g/mol:	366.16198
ΔH_f, kcal/mol:	-185.62
Dipole, Da:	7.5
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9-[(2E,4E)-5-hydroxyhepta-2,4,6-trien-2-yl]fluoren-9-yl]phenol

Drug info:

PubChemData

Smile

CC(C)OCCCN=C(NC(CC(C1=CC(=CC(=C1)Cl)F)N)N)NC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations