Geometry & MOs

Info

ID:	71596
PubChem CID:	48415089
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	48.64
Dipole, Da:	3.98
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=CC=N2

DOS

IR

Vibrations