Geometry & MOs

Info

ID:	292367
PubChem CID:	114917588
Reduced:	BrOCl2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	8.28
Dipole, Da:	4.49
IP(EA), eV:	-9.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azetidin-3-yl)propanoylamino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Br)C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations