Geometry & MOs

Info

ID:	353926
PubChem CID:	127285566
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	4.44
IP(EA), eV:	-9.38(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1CCCCC2)NC(=O)N(C)C

DOS

IR

Vibrations