Geometry & MOs

Info

ID:	12186
PubChem CID:	132038
Reduced:	O7C23H30 (1)
Stoich.:	A7B23C30 (1)
Weight, g/mol:	418.199153
ΔH_f, kcal/mol:	-226.38
Dipole, Da:	3.9
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C(=C1)OC)O[C@H](C)[C@@H](C2=CC(=C(C(=C2)OC)OC)OC)O)OC

DOS

IR

Vibrations