Geometry & MOs

Info

ID:	71236
PubChem CID:	48414495
Reduced:	ClON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	42.53
Dipole, Da:	2.95
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-indol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations