Geometry & MOs

Info

ID:	370605
PubChem CID:	127339747
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-57.22
Dipole, Da:	7.43
IP(EA), eV:	-9.04(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations