Geometry & MOs

Info

ID:	144768
PubChem CID:	53409979
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	352.98296
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	1.97
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-bromo-4-fluorophenoxy)pyrrolidine-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCCC2CCNCC2)Cl

DOS

IR

Vibrations