Geometry & MOs

Info

ID:	71486
PubChem CID:	48414945
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	26.08
Dipole, Da:	3.47
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations