Geometry & MOs

Info

ID:	138465
PubChem CID:	52370159
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	387.150722
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	4.48
IP(EA), eV:	-8.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N(CC(=O)N3)C

DOS

IR

Vibrations