Geometry & MOs

Info

ID:	130353
PubChem CID:	51075686
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	3.98
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(S2)C(=O)N3CCCC(C3)C(=O)N)C=C1

DOS

IR

Vibrations