Geometry & MOs

Info

ID:	71441
PubChem CID:	48414871
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	6.93
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations