Geometry & MOs

Info

ID:	157597
PubChem CID:	56435965
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	348.223535
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	5.06
IP(EA), eV:	-8.45(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3=CN4CCCCC4=N3

DOS

IR

Vibrations