Geometry & MOs

Info

ID:	130621
PubChem CID:	51091777
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	346.117824
ΔH_f, kcal/mol:	81.96
Dipole, Da:	5.09
IP(EA), eV:	-9.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations