Geometry & MOs

Info

ID:	325269
PubChem CID:	126682418
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-179.37
Dipole, Da:	1.53
IP(EA), eV:	-8.15(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethylamino)-4-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]anthracene-9,10-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C2C(=C(C=C1)NCCCN3CCOCC3)C(=O)C4=CC=CC=C4C2=O

DOS

IR

Vibrations