Geometry & MOs

Info

ID:	318123
PubChem CID:	126649056
Reduced:	OSN2C6H12 (1)
Stoich.:	ABC2D6E12 (1)
Weight, g/mol:	332.08333
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	3.24
IP(EA), eV:	-8.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-(difluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

CSN1CCC(C1)C(=O)N

DOS

IR

Vibrations