Geometry & MOs

Info

ID:	201005
PubChem CID:	79472484
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	15.19
Dipole, Da:	5.77
IP(EA), eV:	-9.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-propan-2-yl-1,2,4-triazol-3-yl)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)C2=NN=C3N2N=C(C=C3)C

DOS

IR

Vibrations