Geometry & MOs

Info

ID:	71716
PubChem CID:	48415253
Reduced:	FO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	20.4
Dipole, Da:	4.21
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NO2)C3=CC(=CC=C3)F

DOS

IR

Vibrations