Geometry & MOs

Info

ID:	226006
PubChem CID:	87246593
Reduced:	F3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-331.6
Dipole, Da:	8.74
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;chrysene

Drug info:

PubChemData

Smile

C1CC(=O)C(=C1/C(=C/CCOC2=CC=CC(=C2)C(F)(F)F)/O)C/C=C/CCCC(=O)O

DOS

IR

Vibrations