Geometry & MOs

Info

ID:	251617
PubChem CID:	103105358
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	0.8
IP(EA), eV:	-10.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2CC2)C(C)C

DOS

IR

Vibrations