Geometry & MOs

Info

ID:	37554
PubChem CID:	8022190
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	2.57
IP(EA), eV:	-8.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] anthracene-9-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

DOS

IR

Vibrations