Geometry & MOs

Info

ID:	416881
PubChem CID:	135090657
Reduced:	ClN6O6C36H47 (1)
Stoich.:	AB6C6D36E47 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-244.14
Dipole, Da:	6.67
IP(EA), eV:	-9.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-acetyl-4-methylpyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2(CCC2)C3=CC=C(C=C3)Cl)C)CC4=CC=CC=C4

DOS

IR

Vibrations