Geometry & MOs

Info

ID:	212453
PubChem CID:	81060583
Reduced:	OBr2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	263.145619
ΔH_f, kcal/mol:	43.15
Dipole, Da:	2.9
IP(EA), eV:	-9.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylamino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations