Geometry & MOs

Info

ID:	134087
PubChem CID:	51640545
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	403.99219
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	4.27
IP(EA), eV:	-8.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,4-dibromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@@H](CN2C3=CC=CC=C3N=C2CO)O

DOS

IR

Vibrations