Geometry & MOs

Info

ID:	186471
PubChem CID:	77438527
Reduced:	BrO4N5C28H34 (1)
Stoich.:	AB4C5D28E34 (1)
Weight, g/mol:	431.139151
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.96
IP(EA), eV:	-8.87(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-phthalazin-6-yl-2H-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC2)C(C1)OC3=NC(=CN=C3)C4=C5C=C(C=CC5=NN4C6CCCCO6)Br

DOS

IR

Vibrations