Geometry & MOs

Info

ID:	251545
PubChem CID:	103104782
Reduced:	FO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	4.75
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-aminophenyl)-1-butan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCF)C2=CC=C(C=C2)N

DOS

IR

Vibrations