Geometry & MOs

Info

ID:	151471
PubChem CID:	53812457
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	2.36
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-1-enylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=S)N(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations