Geometry & MOs

Info

ID:	204431
PubChem CID:	79965280
Reduced:	BrF3N3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	341.03506
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	4.01
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=NC(=N1)CCC(F)(F)F)NC)Br

DOS

IR

Vibrations