Geometry & MOs

Info

ID:	280745
PubChem CID:	103851065
Reduced:	F2N2O5C12H14 (1)
Stoich.:	A2B2C5D12E14 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-204.82
Dipole, Da:	5.9
IP(EA), eV:	-10.34(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations