Geometry & MOs

Info

ID:	200642
PubChem CID:	79420629
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-157.12
Dipole, Da:	4.12
IP(EA), eV:	-8.92(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(1-benzofuran-3-yl)propanoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCCN1C[C@H]([C@H](C1)O)O

DOS

IR

Vibrations