Geometry & MOs

Info

ID:	279595
PubChem CID:	103844425
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-54.75
Dipole, Da:	2.65
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=NC2=C1CCCCC2)CO

DOS

IR

Vibrations