Geometry & MOs

Info

ID:	251624
PubChem CID:	103105410
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	6.2
IP(EA), eV:	-10.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxy-2-methylpropyl)-5-pyridin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(C)(C)OC)C(C)C

DOS

IR

Vibrations