Geometry & MOs

Info

ID:	136466
PubChem CID:	52046660
Reduced:	FO2N4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	3.35
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@H](C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)F

DOS

IR

Vibrations