Geometry & MOs

Info

ID:	233840
PubChem CID:	92098529
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	42.77
Dipole, Da:	5.83
IP(EA), eV:	-9.38(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC=C(C=C2)CN3C=CN=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations