Geometry & MOs

Info

ID:	213909
PubChem CID:	81065540
Reduced:	ClN3O3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	5.61
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)/C=C/C1=C(N(N=C1C)C)Cl

DOS

IR

Vibrations