Geometry & MOs

Info

ID:	139131
PubChem CID:	52478236
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-214.96
Dipole, Da:	7.09
IP(EA), eV:	-8.47(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-benzyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)COC(=O)[C@H]3C[C@@H](CN3C(=O)C45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations