Geometry & MOs

Info

ID:	196983
PubChem CID:	78905001
Reduced:	O2S2N7C16H17 (1)
Stoich.:	A2B2C7D16E17 (1)
Weight, g/mol:	304.128388
ΔH_f, kcal/mol:	59.94
Dipole, Da:	4.92
IP(EA), eV:	-9.33(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N3CCN(CC3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations