Geometry & MOs

Info

ID:	353669
PubChem CID:	127285246
Reduced:	O3N6C16H22 (1)
Stoich.:	A3B6C16D22 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	5.52
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N

DOS

IR

Vibrations