Geometry & MOs

Info

ID:	251646
PubChem CID:	103105605
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	3.47
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCF)C2=CC(=CC=C2)OC

DOS

IR

Vibrations