Geometry & MOs

Info

ID:

318223

PubChem CID:

126649731

Reduced:

ClN9H54C64 (1)

Stoich.:

AB9C54D64 (1)

Weight, g/mol:

235.120843

ΔHf, kcal/mol:

350.87

Dipole, Da:

4.78

IP(EA), eV:

 -8.64(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[(4-methoxyphenyl)methylamino]pent-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC(N1)C2=CC(=CC=C2)Cl)C3=CC=CC(=C3)CN4C=C(C=N4)CC5=C(C(=NC6=C5N=NN6C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)N)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations