Geometry & MOs

Info

ID:

320283

PubChem CID:

126659233

Reduced:

FO3N5H20C21 (1)

Stoich.:

AB3C5D20E21 (1)

Weight, g/mol:

508.224119

ΔHf, kcal/mol:

-77.59

Dipole, Da:

5.6

IP(EA), eV:

 -8.63(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

amino 4-[2-[5-[(4-chlorophenyl)methylamino]-4-(2-methylpyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]bicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC)C(=O)NC1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)F

DOS

IR

Vibrations