Geometry & MOs

Info

ID:	73769
PubChem CID:	48420386
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	335.111735
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	7.22
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations