Geometry & MOs

Info

ID:	394588
PubChem CID:	135023262
Reduced:	ON3C10H15 (2)
Stoich.:	AB3C10D15 (2)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	7.33
IP(EA), eV:	-8.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-aminoanilino)-3-(1-tert-butyltetrazol-5-yl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)(C1=NN=NN1C2CCCCC2)NC3=C(C=CC(=C3)C)N

DOS

IR

Vibrations