Geometry & MOs

Info

ID:	212534
PubChem CID:	81060874
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	4.02
IP(EA), eV:	-9.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations