Geometry & MOs

Info

ID:	262125
PubChem CID:	103271824
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	292.097168
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	5.63
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluoro-4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C)NC2=CC(=C(C=C2C)F)Br

DOS

IR

Vibrations