Geometry & MOs

Info

ID:	367921
PubChem CID:	127326094
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	5.55
IP(EA), eV:	-8.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations