Geometry & MOs

Info

ID:	162293
PubChem CID:	57394208
Reduced:	NO3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	480.20999
ΔH_f, kcal/mol:	-260.29
Dipole, Da:	2.41
IP(EA), eV:	-9.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-1-[2-(4-bromophenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(=O)OCCC1=CN(C(=O)N(C1=O)COC)COC

DOS

IR

Vibrations