Geometry & MOs

Info

ID:	71406
PubChem CID:	48414801
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	5.26
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,4-dipropoxyphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCNC(=O)C2=CC=CS2

DOS

IR

Vibrations