Geometry & MOs

Info

ID:	212569
PubChem CID:	81061042
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	5.12
IP(EA), eV:	-9.17(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2CCCC2OC

DOS

IR

Vibrations