Geometry & MOs

Info

ID:	139726
PubChem CID:	52585324
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	371.155807
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	4.05
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]propan-2-yl]-diethylazanium

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations