Geometry & MOs

Info

ID:

311629

PubChem CID:

126595863

Reduced:

N3H23C33 (3)

Stoich.:

A3B23C33 (3)

Weight, g/mol:

332.086015

ΔHf, kcal/mol:

494.53

Dipole, Da:

1.39

IP(EA), eV:

 -7.76(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,3-difluoro-4-[4-(1-hydroxyprop-2-enoxy)phenyl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations