Geometry & MOs

Info

ID:	344093
PubChem CID:	127267269
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	346.175339
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	5.41
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-methyl-1-(pyridin-3-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=CC=CC=C2

DOS

IR

Vibrations