Geometry & MOs

Info

ID:	279903
PubChem CID:	103845594
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	4.44
IP(EA), eV:	-9.07(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]furan-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=C(C=C1)COC)CO

DOS

IR

Vibrations