Geometry & MOs

Info

ID:	130664
PubChem CID:	51091935
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	314.09498
ΔH_f, kcal/mol:	57.64
Dipole, Da:	4.39
IP(EA), eV:	-9.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCC2)C=C1)NC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations