Geometry & MOs

Info

ID:	426434
PubChem CID:	135144167
Reduced:	N4H34C51 (1)
Stoich.:	A4B34C51 (1)
Weight, g/mol:	266.112922
ΔH_f, kcal/mol:	258.37
Dipole, Da:	1.29
IP(EA), eV:	-8.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-methylsulfanylpropyl)anthracene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC(=CC=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations