Geometry & MOs

Info

ID:	306249
PubChem CID:	125003326
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	7.83
Dipole, Da:	3.49
IP(EA), eV:	-8.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-4-yl)-6-[(3R)-piperidin-3-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)N3CCO[C@@H](C3)C4=NC=C(C=C4)NC5=NC=CN=C5)C(=CC=C2)OC

DOS

IR

Vibrations