Geometry & MOs

Info

ID:

214686

PubChem CID:

85083414

Reduced:

N2C34H41 (1)

Stoich.:

A2B34C41 (1)

Weight, g/mol:

577.288697

ΔHf, kcal/mol:

50.88

Dipole, Da:

1.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.758330

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[4-[2-[(5-hydroxy-2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]ethoxy]-2-methyl-5-propan-2-ylphenoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CC)(C)C

DOS

IR

Vibrations