Geometry & MOs

Info

ID:	181533
PubChem CID:	76757312
Reduced:	ClO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	481.08619
ΔH_f, kcal/mol:	23.45
Dipole, Da:	9.31
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[1-(4-bromophenyl)ethylamino]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC2=NC3=C(C=NN3C(=C2)NC4CC4)C=C5CC(=O)NC5=O

DOS

IR

Vibrations