Geometry & MOs

Info

ID:	50510
PubChem CID:	12013052
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	1.83
IP(EA), eV:	-9.53(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-4-hydroxy-3,5,5-trimethyl-2-oxohexan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=N[C@@]2([C@H](O[C@@]2(O1)C)C3=CC=CC=C3)C

DOS

IR

Vibrations