Geometry & MOs

Info

ID:	430505
PubChem CID:	135170571
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	514.294391
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	4.83
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)CC)C

DOS

IR

Vibrations