Geometry & MOs

Info

ID:	293662
PubChem CID:	117395285
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	3.19
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C(=CC(=C2)C(C)(C)CO)Cl)C

DOS

IR

Vibrations