Geometry & MOs

Info

ID:

324669

PubChem CID:

126678109

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

399.252192

ΔHf, kcal/mol:

189.12

Dipole, Da:

2.53

IP(EA), eV:

 -8.01(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E,2E)-2-ethylidene-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]-propylamino]-5-methylhex-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)N(C6=C5C7=C(C=C6)C8=CC=CC=C8O7)C9=CC=C(C=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations