Geometry & MOs

Info

ID:	300469
PubChem CID:	121286598
Reduced:	ON7H11C14 (1)
Stoich.:	AB7C11D14 (1)
Weight, g/mol:	326.112738
ΔH_f, kcal/mol:	164.98
Dipole, Da:	2.03
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-phenylmethoxy-3-prop-2-ynyl-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Drug info:

PubChemData

Smile

C#CCN1C(=O)N2CN=C(C2=NN1)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations