Geometry & MOs

Info

ID:

46820

PubChem CID:

10527591

Reduced:

O3N5C25H33 (1)

Stoich.:

A3B5C25D33 (1)

Weight, g/mol:

451.272259

ΔHf, kcal/mol:

-85.63

Dipole, Da:

9.12

IP(EA), eV:

 -8.69(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,5S,6R,8aR)-5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2H-pyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCN(CC)CC)C(=O)CCC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3

DOS

IR

Vibrations