Geometry & MOs

Info

ID:	404442
PubChem CID:	135066300
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	2.81
IP(EA), eV:	-9.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-phenylhexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@H](CO)C2=CC=C(C=C2)F

DOS

IR

Vibrations