Geometry & MOs

Info

ID:	45632
PubChem CID:	10515863
Reduced:	OF2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-300.76
Dipole, Da:	7.24
IP(EA), eV:	-10.07(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-7-propan-2-yloxy-3,4-dihydro-2H-chromen-8-yl) acetate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]3COC[C@H]3[C@@H]1[C@@H]4[C@H]2C(OC4(F)F)(F)F

DOS

IR

Vibrations