Geometry & MOs

Info

ID:	38360
PubChem CID:	8032458
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-3.46
Dipole, Da:	9.48
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-amino-4-(ethylamino)-9,10-dioxoanthracen-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=O)C3=C(N2)NC(=C(C3=O)CC4=CC=C(C=C4)C(C)(C)C)C)C

DOS

IR

Vibrations