Geometry & MOs

Info

ID:	178315
PubChem CID:	76310169
Reduced:	O3C5H5 (2)
Stoich.:	A3B5C5 (2)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-230.4
Dipole, Da:	3.11
IP(EA), eV:	-9.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,3S)-4-(5-hydroxy-2,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CC1=C2C(OC(=O)C2=C(C(=C1O)O)O)OC

DOS

IR

Vibrations