Geometry & MOs

Info

ID:	328498
PubChem CID:	126723623
Reduced:	FO5N6C18H27 (1)
Stoich.:	AB5C6D18E27 (1)
Weight, g/mol:	404.02733
ΔH_f, kcal/mol:	-190.16
Dipole, Da:	7.47
IP(EA), eV:	-10.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

anthracen-9-yl 2-iodo-2-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)O[C@H]1[C@](CO[C@]1(CN=[N+]=[N-])CO)(N2C=CC(=NC2=O)N)F

DOS

IR

Vibrations