Geometry & MOs

Info

ID:	230987
PubChem CID:	87572401
Reduced:	FN2O8C50H53 (1)
Stoich.:	AB2C8D50E53 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-216.37
Dipole, Da:	3.3
IP(EA), eV:	-8.79(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3R)-3-methylcyclopentadecen-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCC2)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)CC8=C(C=C(C=C8)OC)F

DOS

IR

Vibrations