Geometry & MOs

Info

ID:

447090

PubChem CID:

135280206

Reduced:

N2H40C65 (1)

Stoich.:

A2B40C65 (1)

Weight, g/mol:

415.189592

ΔHf, kcal/mol:

288.72

Dipole, Da:

1.46

IP(EA), eV:

 -7.81(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[6-(3-hydroxynaphthalen-1-yl)-1H-benzimidazol-2-yl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N6C7=CC=CC=C7C8=CC=CC9=C8C6=C5C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations