Geometry & MOs

Info

ID:	268920
PubChem CID:	103602202
Reduced:	NCl2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	305.123878
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	3.33
IP(EA), eV:	-9.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)CC1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations