Geometry & MOs

Info

ID:	135542
PubChem CID:	51889026
Reduced:	O2N4C23H37 (1)
Stoich.:	A2B4C23D37 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758956
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3C)C

DOS

IR

Vibrations