Geometry & MOs

Info

ID:	83673
PubChem CID:	49859899
Reduced:	NO6C23H37 (1)
Stoich.:	AB6C23D37 (1)
Weight, g/mol:	521.23244
ΔH_f, kcal/mol:	-259.88
Dipole, Da:	3.89
IP(EA), eV:	-8.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)octanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCOCCOC2=CC=C(C=C2)C(C)(C)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations