Geometry & MOs

Info

ID:	251681
PubChem CID:	103105942
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-106.02
Dipole, Da:	2.36
IP(EA), eV:	-10.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CN1C(=C(N=N1)C(=O)OC)CC

DOS

IR

Vibrations