Geometry & MOs

Info

ID:	344091
PubChem CID:	127267267
Reduced:	O3N7C15H21 (1)
Stoich.:	A3B7C15D21 (1)
Weight, g/mol:	346.175339
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	5.54
IP(EA), eV:	-10.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-methyl-1-(pyridin-2-ylcarbamoylamino)butyl]-1H-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC(=N1)C(CC(C)C)NC(=O)NC2=NC=NC=C2

DOS

IR

Vibrations