Geometry & MOs

Info

ID:	35907
PubChem CID:	7980475
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-116.95
Dipole, Da:	1.85
IP(EA), eV:	-9.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutylamino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@H]2CC(=O)NCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations