Geometry & MOs

Info

ID:	251600
PubChem CID:	103105202
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	1.75
IP(EA), eV:	-9.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN2C=CC=N2)C(C)C

DOS

IR

Vibrations