Geometry & MOs

Info

ID:	353226
PubChem CID:	127284406
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	7.44
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-propan-2-ylpyrimidine-5-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C4CC4

DOS

IR

Vibrations