Geometry & MOs

Info

ID:	363840
PubChem CID:	127313497
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	5.68
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations