Geometry & MOs

Info

ID:

327249

PubChem CID:

126689333

Reduced:

NOH30C41 (1)

Stoich.:

ABC30D41 (1)

Weight, g/mol:

506.194103

ΔHf, kcal/mol:

137.47

Dipole, Da:

3.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.263987

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)O

DOS

IR

Vibrations