Geometry & MOs

Info

ID:	71616
PubChem CID:	48415115
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	4.41
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations