Geometry & MOs

Info

ID:	147187
PubChem CID:	53786841
Reduced:	ON6H26C30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	113.005881
ΔH_f, kcal/mol:	118.11
Dipole, Da:	5.19
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C3=NC4=CC=CC=C4N3)C5=NC6=C(N5)C=C(C=C6)C(=N)N

DOS

IR

Vibrations