Geometry & MOs

Info

ID:	172531
PubChem CID:	75522536
Reduced:	FO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	333.103731
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	5.75
IP(EA), eV:	-9.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)CNC(=O)NC2=NN3C=C(C=CC3=N2)F

DOS

IR

Vibrations