Geometry & MOs

Info

ID:	399039
PubChem CID:	135037237
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	348.02224
ΔH_f, kcal/mol:	-184.32
Dipole, Da:	3.19
IP(EA), eV:	-9.84(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[2-iodo-1-(4-methoxyphenyl)ethoxy]but-2-en-1-ol

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H]([C@H](OC(O1)(C)C)C(C)CO)C

DOS

IR

Vibrations