Geometry & MOs

Info

ID:

379354

PubChem CID:

134419144

Reduced:

NH12C16 (6)

Stoich.:

AB12C16 (6)

Weight, g/mol:

367.155686

ΔHf, kcal/mol:

382.03

Dipole, Da:

1.98

IP(EA), eV:

 -8.24(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[5-(2-amino-3-methanimidoylpyridin-4-yl)pyridin-2-yl]-1-cyano-3-fluoropiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=CC=CC=C52)C6=C(C=CC(=C6)C#N)C7=C8C(=C9C(=C47)C1=C(C92C3=CC=CC=C3N(C3=CC=CC=C23)C2=CC=C(C=C2)CCCC)C=C(C=C1)C#N)C1=C(C82C3=CC=CC=C3N(C3=CC=CC=C23)C2=CC=C(C=C2)CCCC)C=C(C=C1)C#N

DOS

IR

Vibrations