Geometry & MOs

Info

ID:	130646
PubChem CID:	51091884
Reduced:	OSN6C15H16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	60.09
Dipole, Da:	5.52
IP(EA), eV:	-9.28(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)NC(=O)C2=CC(=NC=C2)N3C=NC=N3

DOS

IR

Vibrations