Geometry & MOs

Info

ID:	403954
PubChem CID:	135063322
Reduced:	FO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-270.38
Dipole, Da:	2.02
IP(EA), eV:	-9.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxypropan-2-yl)-7-methylcyclohepta-1,3,6-trien-1-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(C1(C(=O)OCC)F)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations