Geometry & MOs

Info

ID:	430662
PubChem CID:	135170728
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	530.289306
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	2.58
IP(EA), eV:	-8.77(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-bis[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2CCN(CC2)C(=O)OC)/C(=C/C3=CC=CC=C3N=C)/C

DOS

IR

Vibrations