Geometry & MOs

Info

ID:	37787
PubChem CID:	8024395
Reduced:	NOSCl2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	305.222903
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	3.44
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(2R)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NC2=C(C=CC=C2Cl)Cl)C

DOS

IR

Vibrations