Geometry & MOs

Info

ID:	295102
PubChem CID:	117517362
Reduced:	BrO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	346.06922
ΔH_f, kcal/mol:	-192.32
Dipole, Da:	3.66
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1C(C(=O)OC)O)Br)OC)OC

DOS

IR

Vibrations