Geometry & MOs

Info

ID:	268921
PubChem CID:	103602203
Reduced:	NF3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-292.82
Dipole, Da:	6.35
IP(EA), eV:	-9.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations