Geometry & MOs

Info

ID:	212292
PubChem CID:	81060043
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-19.14
Dipole, Da:	5.6
IP(EA), eV:	-9.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations