Geometry & MOs

Info

ID:	313109
PubChem CID:	126612041
Reduced:	F3O3N5C22H24 (1)
Stoich.:	A3B3C5D22E24 (1)
Weight, g/mol:	671.318815
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	2.57
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@H](C1)NC(=O)C2=CC3=C(NN=C3OCCOC)N=C2)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations