Geometry & MOs

Info

ID:	379562
PubChem CID:	134444914
Reduced:	O2F3N8C26H27 (1)
Stoich.:	A2B3C8D26E27 (1)
Weight, g/mol:	521.238908
ΔH_f, kcal/mol:	-107.78
Dipole, Da:	8.79
IP(EA), eV:	-8.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CNC1=CC(=CC=C1)N2C3=NC(=NC=C3N=C(C2=O)C(F)(F)F)NC4=CC(=C(C=C4)N5CCN(CC5)C)OC

DOS

IR

Vibrations