Geometry & MOs

Info

ID:	349508
PubChem CID:	127275395
Reduced:	SO2N8C16H22 (1)
Stoich.:	AB2C8D16E22 (1)
Weight, g/mol:	333.166171
ΔH_f, kcal/mol:	13.13
Dipole, Da:	4.64
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-[2-(tetrazol-1-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=N2)NC(=O)N3CCN(CC3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations