Geometry & MOs

Info

ID:	258580
PubChem CID:	103155388
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	270.101585
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	2.24
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]-6-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)N1CC(OC2=CC=CC=C21)C(=O)O)CN

DOS

IR

Vibrations