Geometry & MOs

Info

ID:	66134
PubChem CID:	46499928
Reduced:	BrON4H11C17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	353.006655
ΔH_f, kcal/mol:	64.59
Dipole, Da:	2.71
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-9,10-dioxoanthracen-1-yl)-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)Br)C=NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations