Geometry & MOs

Info

ID:	398056
PubChem CID:	135031564
Reduced:	ClON2F13H14C24 (1)
Stoich.:	ABC2D13E14F24 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-608.51
Dipole, Da:	5.8
IP(EA), eV:	-9.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-methylbut-3-en-2-yl)xanthen-9-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CN=C2C(=O)[C@@H](C3=CC=C(C=C3)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations