Geometry & MOs

Info

ID:	169476
PubChem CID:	75108426
Reduced:	FN5O5H30C33 (1)
Stoich.:	AB5C5D30E33 (1)
Weight, g/mol:	384.090569
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	8.63
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CC(C(=O)NC2)C(=O)N(C3=CC=CC=C3)C4=CC(=C(C=C4)OC5=C6C=C(C(=CC6=NC=C5)OC)OC)F

DOS

IR

Vibrations