Geometry & MOs

Info

ID:	332258
PubChem CID:	127250544
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	7.54
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations