Geometry & MOs

Info

ID:	172670
PubChem CID:	75538683
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	440.203468
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	5.48
IP(EA), eV:	-9.19(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-6-(1,1-diphenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)NC3CCCCC3

DOS

IR

Vibrations