Geometry & MOs

Info

ID:	71787
PubChem CID:	48415395
Reduced:	OF2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	5.72
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-but-3-ynylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C3=C2CCC3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations