Geometry & MOs

Info

ID:	139382
PubChem CID:	52520581
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	372.265102
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	6.69
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[(3S)-3-[(2S,5S)-2,5-dimethylpyrrolidin-1-ium-1-yl]piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@@H]1C[C@@H](N(C2=CC=CC=C12)CC(=O)NCCC#N)C

DOS

IR

Vibrations