Geometry & MOs

Info

ID:	28249
PubChem CID:	826547
Reduced:	OS2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	1.2
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

DOS

IR

Vibrations