Geometry & MOs

Info

ID:	313161
PubChem CID:	126612328
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	378.298139
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	2.08
IP(EA), eV:	-8.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-butoxy-3-[(1S,2S)-2,3-dibutoxy-1-methoxypropoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)OC2=CC(=C(C=C2C)O)OC

DOS

IR

Vibrations