Geometry & MOs

Info

ID:

426802

PubChem CID:

135153967

Reduced:

ClO5N6C43H45 (1)

Stoich.:

AB5C6D43E45 (1)

Weight, g/mol:

381.101082

ΔHf, kcal/mol:

-74.04

Dipole, Da:

4.56

IP(EA), eV:

 -8.67(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-chloro-6-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Cl)N(C)C(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)NC(CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C(=O)N(C)C6=CC=NC=C6

DOS

IR

Vibrations