Geometry & MOs

Info

ID:

379138

PubChem CID:

134354306

Reduced:

N3H35C59 (1)

Stoich.:

A3B35C59 (1)

Weight, g/mol:

492.32644

ΔHf, kcal/mol:

293.03

Dipole, Da:

5.33

IP(EA), eV:

 -8.03(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[1-(cyclohexylmethyl)piperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)C=C(C=C5)N6C7=CC=CC=C7C8=C6C9=C(C1=CC=CC=C18)C1=CC=CC=C1C91C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations