Geometry & MOs

Info

ID:	213905
PubChem CID:	81065536
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	6.35
IP(EA), eV:	-10.16(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-(hydroxymethyl)benzoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations