Geometry & MOs

Info

ID:

151147

PubChem CID:

53790846

Reduced:

N2H17C25 (2)

Stoich.:

A2B17C25 (2)

Weight, g/mol:

406.250795

ΔHf, kcal/mol:

277.19

Dipole, Da:

1.41

IP(EA), eV:

 -8.68(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-propoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC4=CC=CC=C43)N5C(=C(N=C5C6=CC=CC7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations