Geometry & MOs

Info

ID:	212311
PubChem CID:	81060092
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	245.189198
ΔH_f, kcal/mol:	21.25
Dipole, Da:	5.37
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(heptan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2CCCCC2

DOS

IR

Vibrations