Geometry & MOs

Info

ID:	288497
PubChem CID:	104317759
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	273.187484
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	2.42
IP(EA), eV:	-8.74(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-hydroxybutyl)piperazin-1-yl]pentanethioamide

Drug info:

PubChemData

Smile

CC(CCN1CCN(CC1)C(C)(C)C#N)O

DOS

IR

Vibrations