Geometry & MOs

Info

ID:	344092
PubChem CID:	127267268
Reduced:	O3N6C16H22 (1)
Stoich.:	A3B6C16D22 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	6.84
IP(EA), eV:	-9.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-methyl-1-(phenylcarbamoylamino)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=N2

DOS

IR

Vibrations