Geometry & MOs

Info

ID:	212389
PubChem CID:	81060355
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	56.56
Dipole, Da:	4.95
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations