Geometry & MOs

Info

ID:	71333
PubChem CID:	48414636
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	407.167891
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	3.77
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations