Geometry & MOs

Info

ID:

298922

PubChem CID:

117664386

Reduced:

O7C45H48 (1)

Stoich.:

A7B45C48 (1)

Weight, g/mol:

718.350569

ΔHf, kcal/mol:

-195.25

Dipole, Da:

1.01

IP(EA), eV:

 -9.02(-0.34)

Spin(Sz, 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;methyl 2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-2-phenylprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC2=C(C(=CC(=C2CCC(=C)C)OC)/C=C(\C)/C3=CC=CC=C3)C(=O)OC)/C=C(\C)/C4=CC=CC=C4)OC

DOS

IR

Vibrations