Geometry & MOs

Info

ID:	141127
PubChem CID:	52820946
Reduced:	BrNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	402.09429
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	1.9
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-[(2R)-2-(3-bromophenyl)morpholin-4-yl]propanamide

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CCOC2=CC=CC=C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations