Geometry & MOs

Info

ID:	213859
PubChem CID:	81065490
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	28.66
Dipole, Da:	10.32
IP(EA), eV:	-9.72(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methoxy-2-nitroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NN2C(=NN=N2)C=C1

DOS

IR

Vibrations