Geometry & MOs

Info

ID:	321493
PubChem CID:	126666347
Reduced:	ClOSN5C11H12 (1)
Stoich.:	ABCD5E11F12 (1)
Weight, g/mol:	410.06701
ΔH_f, kcal/mol:	8.29
Dipole, Da:	4.17
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)triphenylene

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCN2C(=O)C3=C(N=CN3)N=C2N.Cl

DOS

IR

Vibrations