Geometry & MOs

Info

ID:	300470
PubChem CID:	121286611
Reduced:	O3N6H14C15 (1)
Stoich.:	A3B6C14D15 (1)
Weight, g/mol:	219.086858
ΔH_f, kcal/mol:	95.22
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-imidazol-2-ylidene-3-methyl-6,7-dihydro-2H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)N2CN=C(C2=NN1)C(=O)NOCC3=CC=CC=C3

DOS

IR

Vibrations