Geometry & MOs

Info

ID:	131809
PubChem CID:	51263593
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	88.18
Dipole, Da:	4.13
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-benzyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=N2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

DOS

IR

Vibrations