Geometry & MOs

Info

ID:	136509
PubChem CID:	52053472
Reduced:	FO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	515.233268
ΔH_f, kcal/mol:	13.62
Dipole, Da:	7.32
IP(EA), eV:	-8.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=CC=N5)F

DOS

IR

Vibrations