Geometry & MOs

Info

ID:	228597
PubChem CID:	87565384
Reduced:	NSO2C5H11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	351.080631
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	3.14
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC(C(=S)OC(C)N)O

DOS

IR

Vibrations