Geometry & MOs

Info

ID:	351206
PubChem CID:	127279764
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	350.152495
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	8.07
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCCC(C2)CC3=NOC(=N3)C

DOS

IR

Vibrations