Geometry & MOs

Info

ID:	294782
PubChem CID:	117491114
Reduced:	BrFNO3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	305.02268
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2,3-difluoro-6-methoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Br)C(CCC(=O)O)N)F

DOS

IR

Vibrations