Geometry & MOs

Info

ID:	31496
PubChem CID:	855789
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	322.121195
ΔH_f, kcal/mol:	18.27
Dipole, Da:	4.37
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=NC=CN=C4C=C3

DOS

IR

Vibrations