Geometry & MOs

Info

ID:	309277
PubChem CID:	126541547
Reduced:	NC22H27 (1)
Stoich.:	AB22C27 (1)
Weight, g/mol:	236.084872
ΔH_f, kcal/mol:	49.18
Dipole, Da:	1.72
IP(EA), eV:	-9.12(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoropropan-2-yl)-7-hydroxy-8-methylchromen-2-one

Drug info:

PubChemData

Smile

CCC(=C)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=C)CC

DOS

IR

Vibrations