Geometry & MOs

Info

ID:

424777

PubChem CID:

135123883

Reduced:

N4O5C38H40 (1)

Stoich.:

A4B5C38D40 (1)

Weight, g/mol:

501.262757

ΔHf, kcal/mol:

-88.89

Dipole, Da:

2.3

IP(EA), eV:

 -8.7(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)COCC4=CC=C(C=C4)OC)[C@@H](C)C(=O)N5C(COC5=O)C6=CC=CC=C6)C)N=N1

DOS

IR

Vibrations