Geometry & MOs

Info

ID:	349160
PubChem CID:	127274886
Reduced:	O2N7C15H25 (1)
Stoich.:	A2B7C15D25 (1)
Weight, g/mol:	346.186572
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	4.8
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations