Geometry & MOs

Info

ID:	32490
PubChem CID:	7838925
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-128.64
Dipole, Da:	6.92
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C[C@@H]2C(=O)OC[C@H]3N2CCCC3

DOS

IR

Vibrations