Geometry & MOs

Info

ID:	360736
PubChem CID:	127301381
Reduced:	O2F3N3C12H18 (1)
Stoich.:	A2B3C3D12E18 (1)
Weight, g/mol:	336.10046
ΔH_f, kcal/mol:	-250.85
Dipole, Da:	7.37
IP(EA), eV:	-9.12(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C2CCN(C2=O)CC(F)(F)F)C

DOS

IR

Vibrations