Geometry & MOs

Info

ID:	325270
PubChem CID:	126682422
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	5.91
IP(EA), eV:	-7.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminobutyl)-4-(cyclopropylmethylamino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

C1CC(N(C1)CCNC2=C3C(=C(C=C2)NCC4CC4)C(=O)C5=CC=CC=C5C3=O)CO

DOS

IR

Vibrations