Geometry & MOs

Info

ID:

434242

PubChem CID:

135174483

Reduced:

O3N6C26H29 (2)

Stoich.:

A3B6C26D29 (2)

Weight, g/mol:

507.203717

ΔHf, kcal/mol:

-42.05

Dipole, Da:

7.91

IP(EA), eV:

 -8.76(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@@H]4CCC5=C(C4)C=CC(=N5)CC6=CC(=NN=C6N7CCC(CC7)OC8=CN=C(C=C8)OC)C(=O)N[C@H]9CCC1=C(C9)C=CC=N1

DOS

IR

Vibrations