Geometry & MOs

Info

ID:	279348
PubChem CID:	103843255
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-139.68
Dipole, Da:	3.47
IP(EA), eV:	-9.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)COC1=CC=CC(=C1)C)CO

DOS

IR

Vibrations