Geometry & MOs

Info

ID:	133524
PubChem CID:	51539706
Reduced:	BrNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	355.08954
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	1.63
IP(EA), eV:	-8.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2[C@@H](C1=O)CC3=C(C=CC(=C3)OCC)Br

DOS

IR

Vibrations