Geometry & MOs

Info

ID:	402818
PubChem CID:	135057403
Reduced:	O2F3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	4.48
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-acetyl-2,3-dihydro-1H-inden-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=C(C(=CC=C2)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations