Geometry & MOs

Info

ID:	308292
PubChem CID:	125325916
Reduced:	O3N5C9H9 (1)
Stoich.:	A3B5C9D9 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	3.31
Dipole, Da:	4.34
IP(EA), eV:	-10.07(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5R)-4,5-dimethyl-6-oxo-5H-pyrimidin-2-yl]-5-methylpyrazol-3-yl]-2-oxo-2-piperidin-1-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N=C(N=N1)N2C(=CC(=N2)C)C(=O)O

DOS

IR

Vibrations