Geometry & MOs

Info

ID:	144769
PubChem CID:	53410368
Reduced:	BrClFNO3C12H14 (1)
Stoich.:	ABCDE3F12G14 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-180.41
Dipole, Da:	2.48
IP(EA), eV:	-9.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-propan-2-ylphenoxy)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1)OC2=C(C=C(C=C2)F)Br.Cl

DOS

IR

Vibrations