Geometry & MOs

Info

ID:	407021
PubChem CID:	135079152
Reduced:	OPN2F6C15H23 (1)
Stoich.:	ABC2D6E15F23 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-476.04
Dipole, Da:	26.08
IP(EA), eV:	-10.99(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-methylpropoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1[NH2+][C@H](C(=O)N1C)CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations