Geometry & MOs

Info

ID:	84715
PubChem CID:	49869415
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	354.118886
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	5.25
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-(benzylamino)-1,3,4-oxadiazol-2-yl]-3-(methoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O

DOS

IR

Vibrations