Geometry & MOs

Info

ID:	251609
PubChem CID:	103105285
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	5.2
IP(EA), eV:	-10.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCCOC)C(C)C

DOS

IR

Vibrations