Geometry & MOs

Info

ID:	401063
PubChem CID:	135049953
Reduced:	O7C35H38 (1)
Stoich.:	A7B35C38 (1)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-182.28
Dipole, Da:	3.67
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-methoxy-2-(2-methylphenyl)ethenol

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)OCC5=CC=CC=C5

DOS

IR

Vibrations