Geometry & MOs

Info

ID:	126886
PubChem CID:	50983151
Reduced:	N4O5C18H18 (1)
Stoich.:	A4B5C18D18 (1)
Weight, g/mol:	275.149458
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	9.79
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propyl-1,2,4-triazol-3-yl)methylamino]-N-pyrazin-2-ylacetamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC(=NN2C1)C(=O)O)C(=O)CC3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations