Geometry & MOs

Info

ID:	424460
PubChem CID:	135122751
Reduced:	N2F3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	361.00376
ΔH_f, kcal/mol:	-220.7
Dipole, Da:	5.65
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1OCC=O)C)N(C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations