Geometry & MOs

Info

ID:

147495

PubChem CID:

53787151

Reduced:

O7H16C24 (3)

Stoich.:

A7B16C24 (3)

Weight, g/mol:

372.200177

ΔHf, kcal/mol:

-519.64

Dipole, Da:

2.78

IP(EA), eV:

 -8.28(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-N-[[3-fluoro-4-(4-propylphenyl)phenyl]methylideneamino]methanimine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2)C4=C(O3)C5=C(C6=C4OC7=CC(=C(C=C76)OC(=O)C8=CC=C(C=C8)OC)OC(=O)C9=CC=C(C=C9)OC)OC1=CC(=C(C=C15)OC(=O)C1=CC=C(C=C1)OC)OC(=O)C1=CC=C(C=C1)OC)OC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations