Geometry & MOs

Info

ID:

240190

PubChem CID:

93576599

Reduced:

N3O4C22H25 (1)

Stoich.:

A3B4C22D25 (1)

Weight, g/mol:

351.194677

ΔHf, kcal/mol:

-96.33

Dipole, Da:

3.98

IP(EA), eV:

-8.98(-0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=NC3=CC=CC=C3N2CC(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations