Geometry & MOs

Info

ID:	355883
PubChem CID:	127290735
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	7.83
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CC2=CC=CC=C2C1)C3CCS(=O)(=O)C3

DOS

IR

Vibrations