Geometry & MOs

Info

ID:	352657
PubChem CID:	127283746
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	9.3
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CN3CCC(CC3)CN(C)C

DOS

IR

Vibrations