Geometry & MOs

Info

ID:	430375
PubChem CID:	135170439
Reduced:	BrPC8H8 (1)
Stoich.:	ABC8D8 (1)
Weight, g/mol:	578.325691
ΔH_f, kcal/mol:	91.94
Dipole, Da:	9.0
IP(EA), eV:	-7.98(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-(3-hydroxyphenyl)-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=C1)C#C[PH3+].[Br-]

DOS

IR

Vibrations