Geometry & MOs

Info

ID:	351602
PubChem CID:	127280494
Reduced:	O4N5C16H25 (1)
Stoich.:	A4B5C16D25 (1)
Weight, g/mol:	307.175673
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	3.87
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations