Geometry & MOs

Info

ID:	71614
PubChem CID:	48415113
Reduced:	ClON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	26.12
Dipole, Da:	2.86
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations