Geometry & MOs

Info

ID:	318089
PubChem CID:	126648915
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	342.122909
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	0.86
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1CC1N(C)C(=O)C2=CC(=CNC2=O)C(=O)N

DOS

IR

Vibrations