Geometry & MOs

Info

ID:	352415
PubChem CID:	127283503
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	338.152495
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	6.67
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-3,3-dimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)CNC(=O)C2=CNC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations