Geometry & MOs

Info

ID:

442922

PubChem CID:

135256906

Reduced:

O2N8C31H32 (1)

Stoich.:

A2B8C31D32 (1)

Weight, g/mol:

488.207307

ΔHf, kcal/mol:

80.84

Dipole, Da:

7.66

IP(EA), eV:

 -8.48(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methyl-6-[(5-methylpyridin-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyridin-3-ylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C2=NC=C(C(=N2)NC3=CN=CC=C3)C)C)C(=O)NC/C(=C/C=C(/C4=CN=C(C=C4)OC)\N=C)/C

DOS

IR

Vibrations