Geometry & MOs

Info

ID:	139856
PubChem CID:	52609195
Reduced:	O2F3N3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	343.199723
ΔH_f, kcal/mol:	-243.68
Dipole, Da:	3.38
IP(EA), eV:	-8.95(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propyl]-(2,2,2-trifluoroethyl)azanium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCCCN(C)CC(F)(F)F

DOS

IR

Vibrations