Geometry & MOs

Info

ID:	294522
PubChem CID:	117466501
Reduced:	ClFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	287.99972
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	5.84
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-(1-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)CN2CCNCC2)Cl)F

DOS

IR

Vibrations