Geometry & MOs

Info

ID:	391303
PubChem CID:	135004215
Reduced:	NOH32C35 (1)
Stoich.:	ABC32D35 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	111.63
Dipole, Da:	7.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096034
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-3-hydroxy-1-phenylpropyl]-5-methoxyphenol

Drug info:

PubChemData

Smile

CCCCN1C(OC2=C(C=C(C2=C1C3=CC=CC=C3)C4=CC=CC=C4)C5=C[CH]C=C5)C6=CC=C(C=C6)C

DOS

IR

Vibrations