Geometry & MOs

Info

ID:	213981
PubChem CID:	81065618
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	3.31
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-benzoxazol-2-ylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC2=CC=CC=C2N=C1C

DOS

IR

Vibrations