Geometry & MOs

Info

ID:

421092

PubChem CID:

135115373

Reduced:

O6N7C36H47 (1)

Stoich.:

A6B7C36D47 (1)

Weight, g/mol:

373.191403

ΔHf, kcal/mol:

-211.13

Dipole, Da:

5.1

IP(EA), eV:

 -9.28(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-3-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=C(C=C3)N4C=CN=C4)C(C)C

DOS

IR

Vibrations