Geometry & MOs

Info

ID:	264411
PubChem CID:	103459749
Reduced:	NSO2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	342.08306
ΔH_f, kcal/mol:	-114.15
Dipole, Da:	2.23
IP(EA), eV:	-8.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-ethylhexane-2,3-diol

Drug info:

PubChemData

Smile

CCC(CC)C(C(CC1=NC(=C(S1)C)C)O)O

DOS

IR

Vibrations