Geometry & MOs

Info

ID:	84716
PubChem CID:	49869416
Reduced:	O3N8H14C15 (1)
Stoich.:	A3B8C14D15 (1)
Weight, g/mol:	299.058929
ΔH_f, kcal/mol:	59.82
Dipole, Da:	1.9
IP(EA), eV:	-9.06(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8Z)-3-methyl-8-(4-thiophen-2-ylimidazol-2-ylidene)-2H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

COCN1C(=O)N2C=NC(=C2N=N1)C3=NN=C(O3)NCC4=CC=CC=C4

DOS

IR

Vibrations