Geometry & MOs

Info

ID:	378292
PubChem CID:	134224368
Reduced:	Cl2O2N4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	372.060088
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	6.33
IP(EA), eV:	-9.26(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CNC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations