Geometry & MOs

Info

ID:	189942
PubChem CID:	77927613
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	251.058929
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	5.87
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-amino-1,3-thiazol-2-yl)-3-methyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=CC2=CNC3=C2C=CC=N3)C1=O)NC4CCCC4

DOS

IR

Vibrations