Geometry & MOs

Info

ID:	380925
PubChem CID:	134971525
Reduced:	O13C26H32 (1)
Stoich.:	A13B26C32 (1)
Weight, g/mol:	143.987365
ΔH_f, kcal/mol:	-514.5
Dipole, Da:	5.08
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron;1-methoxyprop-1-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3C(C([C@@H](C(O3)CO)O)O)O)O)O[C@H]4C(C([C@@H](C(O4)CO)O)O)O

DOS

IR

Vibrations