Geometry & MOs

Info

ID:

438183

PubChem CID:

135227812

Reduced:

N9H45C70 (1)

Stoich.:

A9B45C70 (1)

Weight, g/mol:

412.169939

ΔHf, kcal/mol:

426.95

Dipole, Da:

10.91

IP(EA), eV:

 -8.04(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[(3-fluoropyridin-2-yl)-phenylmethyl]-2-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C9=C7N(C1=CC=CC=C19)C1=CC=C(C=C1)C1=NN=C(N1C1=CC=CC=C1)C1=CC=CC=C1)N(C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations