Geometry & MOs

Info

ID:	308293
PubChem CID:	125326006
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	5.43
IP(EA), eV:	-9.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5S)-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(=NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C(=O)N3CCCCC3)C

DOS

IR

Vibrations