Geometry & MOs

Info

ID:	396791
PubChem CID:	135029228
Reduced:	NO2H22C28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	131.99
Dipole, Da:	1.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131754
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-3-hydroxy-1-phenylprop-1-enyl]-2,4-dimethylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](/C(=C(/C3=CC=CC=C3)\O[O])/C4=CC=CC=C42)C5=CC=CC=C5

DOS

IR

Vibrations