Geometry & MOs

Info

ID:	251573
PubChem CID:	103104982
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	8.01
IP(EA), eV:	-9.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(cyclopropylamino)-3-oxopropyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)N2CCCCC2)C

DOS

IR

Vibrations