Geometry & MOs

Info

ID:	212523
PubChem CID:	81060837
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	56.75
Dipole, Da:	4.37
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations