Geometry & MOs

Info

ID:

185246

PubChem CID:

77275095

Reduced:

FO2N6C23H37 (1)

Stoich.:

AB2C6D23E37 (1)

Weight, g/mol:

667.341007

ΔHf, kcal/mol:

-139.73

Dipole, Da:

4.77

IP(EA), eV:

 -8.86(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-methyl-4-[5-[(4-methylphenyl)methoxy]pyridin-2-yl]oxyphenyl]-1-[4-[[4-[2-(4-methylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCCCN3CC(C(=O)NC3=O)F

DOS

IR

Vibrations