Geometry & MOs

Info

ID:	121045
PubChem CID:	50754222
Reduced:	ClN2O2F3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	425.213698
ΔH_f, kcal/mol:	-216.99
Dipole, Da:	4.91
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations