Geometry & MOs

Info

ID:	229875
PubChem CID:	87569422
Reduced:	ClFON4H12C15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	1369.185037
ΔH_f, kcal/mol:	16.18
Dipole, Da:	4.54
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

didodecyl hydrogen phosphate;3-methanidylheptane;titanium(2+)

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3F)Cl)C#N

DOS

IR

Vibrations