Geometry & MOs

Info

ID:	71419
PubChem CID:	48414833
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	-24.58
Dipole, Da:	3.36
IP(EA), eV:	-8.83(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2CCCCC2

DOS

IR

Vibrations