Geometry & MOs

Info

ID:	296376
PubChem CID:	117570757
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	4.8
IP(EA), eV:	-8.72(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(1,3-benzodioxol-5-ylmethylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCC(=O)CC2

DOS

IR

Vibrations