Geometry & MOs

Info

ID:	213867
PubChem CID:	81065498
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	8.9
IP(EA), eV:	-10.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-benzofuran-3-carbonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=C(C=N1)[N+](=O)[O-]

DOS

IR

Vibrations