Geometry & MOs

Info

ID:	130647
PubChem CID:	51091887
Reduced:	O3N5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	12.5
Dipole, Da:	3.96
IP(EA), eV:	-9.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-thiophen-3-ylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1OC2=CC=CC(=C2O1)CNC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations