Geometry & MOs

Info

ID:	404881
PubChem CID:	135071559
Reduced:	O2C13H13 (2)
Stoich.:	A2B13C13 (2)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	3.16
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

anthracen-9-yl 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@@H](C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations