Geometry & MOs

Info

ID:	352305
PubChem CID:	127283389
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-161.92
Dipole, Da:	1.7
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxane-4-carbonyl)-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O

DOS

IR

Vibrations