Geometry & MOs

Info

ID:	212357
PubChem CID:	81060262
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	4.15
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1COC(CN1C2=C(C(=NC(=C2)C)C)C#N)C

DOS

IR

Vibrations