Geometry & MOs

Info

ID:	370870
PubChem CID:	127341168
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	4.7
IP(EA), eV:	-9.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-phenylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC(=O)CN2CCNC(=O)C2C3=CC=CC=C3

DOS

IR

Vibrations