Geometry & MOs

Info

ID:

190397

PubChem CID:

77996516

Reduced:

N2H23C31 (2)

Stoich.:

A2B23C31 (2)

Weight, g/mol:

442.126418

ΔHf, kcal/mol:

290.84

Dipole, Da:

2.63

IP(EA), eV:

 -7.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(1,2-dihydroxyethyl)-3-fluoropyridin-2-yl]-N-[5-(trifluoromethoxy)pyridin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC(=C5)C6C=C(C7=C(N6)C8=C(C=CC=N8)C=C7)C9=CC=CC=C9)N=C1C(=C(C)C2=CC=CC=C2)C=CC2=C1N=CC=C2

DOS

IR

Vibrations