Geometry & MOs

Info

ID:	2696
PubChem CID:	8319
Reduced:	ClNO4H14C22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	391.061136
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	2.43
IP(EA), eV:	-8.75(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-4-methoxy-9,10-dioxoanthracen-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3)C(=O)C4=C(C2=O)C(=CC=C4)Cl

DOS

IR

Vibrations