Geometry & MOs

Info

ID:	361917
PubChem CID:	127304913
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	4.32
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CCCCC3CN4CCOCC4

DOS

IR

Vibrations