Geometry & MOs

Info

ID:	227520
PubChem CID:	87561911
Reduced:	F2O3N4H20C25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	518.408358
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	1.54
IP(EA), eV:	-8.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis[bis(cyclohexylmethyl)azaniumyl]propanedioate

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)N3/C(=C\4/C=C(C(=CC4=O)O)CCC5=C(C=CC(=C5)F)F)/NNC3=O

DOS

IR

Vibrations