Geometry & MOs

Info

ID:	318053
PubChem CID:	126648717
Reduced:	O2F3N4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	381.099252
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	2.68
IP(EA), eV:	-9.55(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(2-chloro-6-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F.C1=CN=CN=C1

DOS

IR

Vibrations