Geometry & MOs

Info

ID:	29414
PubChem CID:	833663
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	3.55
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentanecarbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=C(C=C2)C)O

DOS

IR

Vibrations