Geometry & MOs

Info

ID:	73770
PubChem CID:	48420387
Reduced:	N3O6C15H17 (1)
Stoich.:	A3B6C15D17 (1)
Weight, g/mol:	307.072369
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	6.34
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OCCN2C=NC=N2)OCC(=O)OC

DOS

IR

Vibrations