Geometry & MOs

Info

ID:	26504
PubChem CID:	650545
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	1.33
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C)C2=C(C=CC=N2)O)C

DOS

IR

Vibrations