Geometry & MOs

Info

ID:	268917
PubChem CID:	103602169
Reduced:	NF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-283.21
Dipole, Da:	5.5
IP(EA), eV:	-10.0(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations