Geometry & MOs

Info

ID:	73739
PubChem CID:	48420281
Reduced:	O2N5H17C20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	64.68
Dipole, Da:	3.67
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2,6-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCN3C=NC=N3)C4=CC=CC=C4

DOS

IR

Vibrations