Geometry & MOs

Info

ID:	302876
PubChem CID:	124397995
Reduced:	O5H26C29 (1)
Stoich.:	A5B26C29 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-102.74
Dipole, Da:	5.09
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,4,5-trimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@@H](C(=O)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4

DOS

IR

Vibrations