Geometry & MOs

Info

ID:	30046
PubChem CID:	839252
Reduced:	O2S2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	239.08071
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	3.9
IP(EA), eV:	-8.42(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenyltetrazol-5-yl)pyridin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)C2SCCCS2

DOS

IR

Vibrations