Geometry & MOs

Info

ID:	306406
PubChem CID:	125011604
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	65.83
Dipole, Da:	2.92
IP(EA), eV:	-9.4(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NN=C(O2)C3=NC=CC4=CC=CC=C43)C(=O)CN5C=CC=N5

DOS

IR

Vibrations