Geometry & MOs

Info

ID:	349159
PubChem CID:	127274885
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	335.206973
ΔH_f, kcal/mol:	44.93
Dipole, Da:	5.59
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)N3CCN(CC3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations