Geometry & MOs

Info

ID:	251384
PubChem CID:	103103609
Reduced:	BrN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	259.153206
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	12.59
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=CC(=C(C=C1)Br)C(=O)O

DOS

IR

Vibrations