Geometry & MOs

Info

ID:	143891
PubChem CID:	53275731
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	4.66
Dipole, Da:	2.16
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylpiperazin-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

C1=CSC=C1CC(CO)C#N

DOS

IR

Vibrations