Geometry & MOs

Info

ID:	294346
PubChem CID:	117453916
Reduced:	FN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	2.23
IP(EA), eV:	-8.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-phenyl-4-propan-2-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C(=C1)OC)CN2CCNCC2)OC)F

DOS

IR

Vibrations