Geometry & MOs

Info

ID:	273786
PubChem CID:	103799629
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	277.092578
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	5.88
IP(EA), eV:	-10.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trifluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(CCO)COC)[N+](=O)[O-]

DOS

IR

Vibrations