Geometry & MOs

Info

ID:	298923
PubChem CID:	117664387
Reduced:	O8C45H50 (1)
Stoich.:	A8B45C50 (1)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	-266.28
Dipole, Da:	8.53
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-2-phenylprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)O)/C=C(\C)/C2=CC=CC=C2)OC.CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C(\C)/C2=CC=CC=C2)OC

DOS

IR

Vibrations