Geometry & MOs

Info

ID:	291639
PubChem CID:	113454670
Reduced:	BrON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	5.76
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromopyridin-3-yl)methyl-methylamino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C(CC1=CC(=CN=C1)Br)O)N(C)C

DOS

IR

Vibrations