Geometry & MOs

Info

ID:	324954
PubChem CID:	126678915
Reduced:	O3F4N6H14C19 (1)
Stoich.:	A3B4C6D14E19 (1)
Weight, g/mol:	376.105066
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-(2-hydroxypropyl)benzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)OC(F)(F)F)F

DOS

IR

Vibrations