Geometry & MOs

Info

ID:	398088
PubChem CID:	135031705
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	314.131823
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	4.64
IP(EA), eV:	-8.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-5-methoxy-9-(2-methylbut-3-en-2-yl)xanthen-9-ol

Drug info:

PubChemData

Smile

CCCCNC(=C1C=CC=C1)O

DOS

IR

Vibrations