Geometry & MOs

Info

ID:	378272
PubChem CID:	134224348
Reduced:	F3O4N6C27H29 (1)
Stoich.:	A3B4C6D27E29 (1)
Weight, g/mol:	486.162723
ΔH_f, kcal/mol:	-219.06
Dipole, Da:	10.66
IP(EA), eV:	-8.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC

DOS

IR

Vibrations