Geometry & MOs

Info

ID:

328380

PubChem CID:

126704914

Reduced:

N4H5C8 (2)

Stoich.:

A4B5C8 (2)

Weight, g/mol:

439.214744

ΔHf, kcal/mol:

204.56

Dipole, Da:

0.52

IP(EA), eV:

 -9.57(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R)-8-[[1-methyl-8-(2-methylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=NC=NC=N3)C4=NC=NC=N4

DOS

IR

Vibrations