Geometry & MOs

Info

ID:	148296
PubChem CID:	53787958
Reduced:	NO2C26H35 (1)
Stoich.:	AB2C26D35 (1)
Weight, g/mol:	407.095807
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	2.48
IP(EA), eV:	-9.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-chloroanthracen-9-yl)methylamino]-3-hydroxy-2-methylpropyl] methanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)CC2=CN=CC=C2)C

DOS

IR

Vibrations