Geometry & MOs

Info

ID:	325083
PubChem CID:	126680400
Reduced:	FO2N7H12C15 (1)
Stoich.:	AB2C7D12E15 (1)
Weight, g/mol:	348.064074
ΔH_f, kcal/mol:	55.16
Dipole, Da:	5.83
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methylsulfonyl-2-nitrosophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)F

DOS

IR

Vibrations