Geometry & MOs

Info

ID:	430370
PubChem CID:	135170434
Reduced:	BrClFON3C11H16 (1)
Stoich.:	ABCDE3F11G16 (1)
Weight, g/mol:	510.299476
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	4.48
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-ethynyl-10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN=C(N)N)Br)OCCC[18F].Cl

DOS

IR

Vibrations