Geometry & MOs

Info

ID:	349738
PubChem CID:	127275900
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	4.69
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dihydroacenaphthylen-5-yl-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations