Geometry & MOs

Info

ID:	324968
PubChem CID:	126678978
Reduced:	O2F3N8H21C22 (1)
Stoich.:	A2B3C8D21E22 (1)
Weight, g/mol:	394.155352
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	5.96
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluoro-N-methyl-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C=C2)C3=CC(=C(C=C3)COC4=CC(=NC5=NNN=C45)N)OC(F)(F)F

DOS

IR

Vibrations