Geometry & MOs

Info

ID:	171991
PubChem CID:	75450737
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	299.034018
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	4.22
IP(EA), eV:	-8.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(C)OC(=O)C2CCN(CC2)C3=NC=CN=C3)C

DOS

IR

Vibrations