Geometry & MOs

Info

ID:	186786
PubChem CID:	77482357
Reduced:	O3N8H22C23 (1)
Stoich.:	A3B8C22D23 (1)
Weight, g/mol:	432.129451
ΔH_f, kcal/mol:	41.51
Dipole, Da:	9.33
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NC3=C(C=NN23)C=C4C(=O)NC(=O)N4)C5=CC(=CC=C5)OCC6=NCCN6

DOS

IR

Vibrations