Geometry & MOs

Info

ID:	360524
PubChem CID:	127301169
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-171.17
Dipole, Da:	2.24
IP(EA), eV:	-8.7(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations