Geometry & MOs

Info

ID:	268918
PubChem CID:	103602173
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-161.8
Dipole, Da:	4.16
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=CC(=CC=C1)OC

DOS

IR

Vibrations