Geometry & MOs

Info

ID:	130645
PubChem CID:	51091882
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	328.11063
ΔH_f, kcal/mol:	26.37
Dipole, Da:	5.24
IP(EA), eV:	-8.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)OCCNC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations