Geometry & MOs

Info

ID:	229583
PubChem CID:	87568084
Reduced:	N3O3F6H15C23 (1)
Stoich.:	A3B3C6D15E23 (1)
Weight, g/mol:	846.457174
ΔH_f, kcal/mol:	-316.91
Dipole, Da:	3.22
IP(EA), eV:	-8.84(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C=C2[C@@H]1CC(=O)O

DOS

IR

Vibrations