Geometry & MOs

Info

ID:	73749
PubChem CID:	48420300
Reduced:	O3N6H18C22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	65.04
Dipole, Da:	1.82
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-(4-acetamidophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=CO4)C(=C2)C(=O)OCCN5C=NC=N5

DOS

IR

Vibrations