Geometry & MOs

Info

ID:	126290
PubChem CID:	50958836
Reduced:	SN6H12C15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	190.13
Dipole, Da:	11.75
IP(EA), eV:	-8.63(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=N/C(=C\2/C=NN=C2C3=CC=CS3)/N(N1)C4=CC=CC=N4

DOS

IR

Vibrations