Geometry & MOs

Info

ID:	349169
PubChem CID:	127274895
Reduced:	O3N7C18H29 (1)
Stoich.:	A3B7C18D29 (1)
Weight, g/mol:	335.170588
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	9.02
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations