Geometry & MOs

Info

ID:	73771
PubChem CID:	48420390
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	8.09
IP(EA), eV:	-9.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)/C=C/C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations