Geometry & MOs

Info

ID:	251567
PubChem CID:	103104939
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	1.07
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)C

DOS

IR

Vibrations