Geometry & MOs

Info

ID:

431146

PubChem CID:

135171216

Reduced:

ON5C25H29 (1)

Stoich.:

AB5C25D29 (1)

Weight, g/mol:

636.297952

ΔHf, kcal/mol:

40.46

Dipole, Da:

2.61

IP(EA), eV:

 -8.13(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-4-methyl-5-(piperidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CN3C=CC=C3C=C2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations