Geometry & MOs

Info

ID:	204292
PubChem CID:	79942882
Reduced:	ClN2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	260.169608
ΔH_f, kcal/mol:	-33.66
Dipole, Da:	3.92
IP(EA), eV:	-8.39(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

CC(CCN1CCN2CCCC2C1)CCCl

DOS

IR

Vibrations