Geometry & MOs

Info

ID:	251558
PubChem CID:	103104875
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	4.13
IP(EA), eV:	-10.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCCC2O)C

DOS

IR

Vibrations