Geometry & MOs

Info

ID:	213954
PubChem CID:	81065587
Reduced:	N2Br3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-120.43
Dipole, Da:	3.04
IP(EA), eV:	-9.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[benzyl(ethyl)carbamoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=C(C=C(C=C1Br)Br)Br

DOS

IR

Vibrations