Geometry & MOs

Info

ID:	295077
PubChem CID:	117515443
Reduced:	BrO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	5.24
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)C(CC(=O)O)C3CC3)Br)OC1

DOS

IR

Vibrations