Geometry & MOs

Info

ID:	213686
PubChem CID:	81064650
Reduced:	N4O5C11H16 (1)
Stoich.:	A4B5C11D16 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-102.79
Dipole, Da:	8.35
IP(EA), eV:	-10.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3-bromophenyl)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CN1C=CC(=N1)[N+](=O)[O-]

DOS

IR

Vibrations