Geometry & MOs

Info

ID:	326054
PubChem CID:	126686248
Reduced:	N4O5C25H30 (1)
Stoich.:	A4B5C25D30 (1)
Weight, g/mol:	718.262028
ΔH_f, kcal/mol:	-161.63
Dipole, Da:	8.93
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[(9aS)-4a,5a,9a,9b-tetrahydrodibenzofuran-4-yl]-1-N-(6,7-didehydrodibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNCCN5CCCC5

DOS

IR

Vibrations