Geometry & MOs

Info

ID:	167868
PubChem CID:	74887403
Reduced:	NO2F3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	-173.78
Dipole, Da:	5.18
IP(EA), eV:	-10.13(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]quinoline-3-carboximidamide

Drug info:

PubChemData

Smile

CCOC1C=CC=C2C1=NC(=CC2=O)C(F)(F)F

DOS

IR

Vibrations