Geometry & MOs

Info

ID:	135846
PubChem CID:	51948783
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	345.07283
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	1.27
IP(EA), eV:	-9.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)Br)NC(=O)C2CCCCC2

DOS

IR

Vibrations