Geometry & MOs

Info

ID:	359266
PubChem CID:	127297800
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	4.63
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoylpiperidin-3-yl)-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2CC1CN2C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations