Geometry & MOs

Info

ID:	137894
PubChem CID:	52279815
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	4.32
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(1R)-1-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CC1=CN(N=N1)C[C@@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations