Geometry & MOs

Info

ID:	120813
PubChem CID:	50745563
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	13.92
Dipole, Da:	6.26
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations