Geometry & MOs

Info

ID:	165777
PubChem CID:	74597309
Reduced:	O3N4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	367.163337
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755654
Charge, e:	1

Chem-info

IUPAC name:

methyl-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]-(2-phenoxyethyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

DOS

IR

Vibrations