Geometry & MOs

Info

ID:	279394
PubChem CID:	103843705
Reduced:	NO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-130.7
Dipole, Da:	4.01
IP(EA), eV:	-9.72(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CC1CC2CCC1C2)CO

DOS

IR

Vibrations