Geometry & MOs

Info

ID:	318129
PubChem CID:	126649064
Reduced:	FNO2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	333.062867
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	3.95
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1C=C(O2)F)C#N

DOS

IR

Vibrations