Geometry & MOs

Info

ID:	440859
PubChem CID:	135231875
Reduced:	NC21H41 (1)
Stoich.:	AB21C41 (1)
Weight, g/mol:	461.147488
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	2.07
IP(EA), eV:	-9.27(3.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(CCC(CCCC1CCC1)CN)C2CCC(C2)C

DOS

IR

Vibrations