Geometry & MOs

Info

ID:	251608
PubChem CID:	103105281
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	2.97
IP(EA), eV:	-10.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-methoxybutyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations