Geometry & MOs

Info

ID:	280152
PubChem CID:	103847242
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	419.07322
ΔH_f, kcal/mol:	2.77
Dipole, Da:	4.29
IP(EA), eV:	-9.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-methylphenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C#CCC(=O)C1=CCCCC1

DOS

IR

Vibrations