Geometry & MOs

Info

ID:	170269
PubChem CID:	75214651
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	646.205027
ΔH_f, kcal/mol:	-289.93
Dipole, Da:	2.24
IP(EA), eV:	-10.25(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-hydroxy-3-(4-hydroxybenzoyl)oxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCCC4(C)COC(=O)C)C)O)O)O

DOS

IR

Vibrations