Geometry & MOs

Info

ID:	440760
PubChem CID:	135231317
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	203.067032
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	10.6
IP(EA), eV:	-9.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCC2=CNN=C2)S(=O)(=O)C3=CC=NC=C3

DOS

IR

Vibrations