Geometry & MOs

Info

ID:	351197
PubChem CID:	127279755
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.36
IP(EA), eV:	-9.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations