Geometry & MOs

Info

ID:	279429
PubChem CID:	103843899
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	3.16
IP(EA), eV:	-9.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=C(O1)Cl)CO

DOS

IR

Vibrations