Geometry & MOs

Info

ID:	378271
PubChem CID:	134224347
Reduced:	F3O3N6H19C23 (1)
Stoich.:	A3B3C6D19E23 (1)
Weight, g/mol:	558.220238
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	5.49
IP(EA), eV:	-8.67(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4

DOS

IR

Vibrations