Geometry & MOs

Info

ID:	25690
PubChem CID:	629188
Reduced:	O10C25H38 (1)
Stoich.:	A10B25C38 (1)
Weight, g/mol:	364.069536
ΔH_f, kcal/mol:	-496.42
Dipole, Da:	4.81
IP(EA), eV:	-9.93(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-(4-nitro-9,10-dioxoanthracen-1-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCC(C=CC1C(CC(C1CCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations