Geometry & MOs

Info

ID:	212434
PubChem CID:	81060531
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	13.34
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations