Geometry & MOs

Info

ID:	58287
PubChem CID:	24697486
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	202.113984
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	5.7
IP(EA), eV:	-8.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxypiperidin-1-yl)butanethioamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)C(C)N)O

DOS

IR

Vibrations