Geometry & MOs

Info

ID:	268916
PubChem CID:	103602154
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-125.3
Dipole, Da:	7.25
IP(EA), eV:	-10.14(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations