Geometry & MOs

Info

ID:	126318
PubChem CID:	50959252
Reduced:	OS2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	279.090229
ΔH_f, kcal/mol:	35.12
Dipole, Da:	5.49
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyrazin-2-yl-2-[2-(2H-triazol-4-ylsulfanyl)ethylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CC=C)C(=O)C2=C(N=NS2)C(C)C

DOS

IR

Vibrations