Geometry & MOs

Info

ID:

439500

PubChem CID:

135229274

Reduced:

SN2F6O6C64H68 (1)

Stoich.:

AB2C6D6E64F68 (1)

Weight, g/mol:

370.156895

ΔHf, kcal/mol:

-422.85

Dipole, Da:

9.24

IP(EA), eV:

 -9.35(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylcyclohexa-1,5-dien-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)(C1=CC=C(C=C1)C(C2=CC=C(C=C2)OC3=CC=CC(=C3C#N)C(C)(CC)C(C)(C)C(C)(C)C4=CC(=C(C=C4)C(C)(C)C)C(=O)C5=CC(=CC=C5)S(=O)(=O)O)(C(F)(F)F)C(F)(F)F)OC6=CC=CC(=C6C#N)C(C)(C)C

DOS

IR

Vibrations