Geometry & MOs

Info

ID:	294957
PubChem CID:	117509225
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	3.84
IP(EA), eV:	-8.74(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1CC3(CC3)O)Br)OCCO2

DOS

IR

Vibrations