Geometry & MOs

Info

ID:	213863
PubChem CID:	81065494
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	5.3
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=CN=CC(=N1)OCC

DOS

IR

Vibrations