Geometry & MOs

Info

ID:	441856
PubChem CID:	135246030
Reduced:	FO3N4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	441.171336
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	3.87
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\CN1CCOCC1)/N(C2=CC=CC=C2F)N)/N

DOS

IR

Vibrations