Geometry & MOs

Info

ID:	279411
PubChem CID:	103843865
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	3.68
IP(EA), eV:	-9.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations