Geometry & MOs

Info

ID:	226151
PubChem CID:	87325908
Reduced:	N6O8C13H28 (1)
Stoich.:	A6B8C13D28 (1)
Weight, g/mol:	379.114135
ΔH_f, kcal/mol:	-372.34
Dipole, Da:	11.33
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylamino)-8-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]imidazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C(CCN=C(N)N)C[C@@H](C(=O)O)N.C([C@@H](C(=O)O)N)C(=O)O.C(C(=O)O)N

DOS

IR

Vibrations