Geometry & MOs

Info

ID:	306250
PubChem CID:	125003327
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	3.73
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)NC2CCOCC2)[C@@H]3CCCNC3

DOS

IR

Vibrations