Geometry & MOs

Info

ID:	222681
PubChem CID:	85316879
Reduced:	BrNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	312.137302
ΔH_f, kcal/mol:	51.84
Dipole, Da:	2.44
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-fluoroethanol

Drug info:

PubChemData

Smile

C1CC1[N+](=CC2=CC=C(C=C2)Br)[O-]

DOS

IR

Vibrations