Geometry & MOs

Info

ID:	244766
PubChem CID:	99381441
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	7.29
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)CCCN2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations