Geometry & MOs

Info

ID:	342719
PubChem CID:	127265879
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	20.68
Dipole, Da:	1.33
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=NNN=N2)O)C(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations