Geometry & MOs

Info

ID:	180981
PubChem CID:	76713530
Reduced:	FN2O3C32H47 (1)
Stoich.:	AB2C3D32E47 (1)
Weight, g/mol:	511.377392
ΔH_f, kcal/mol:	-182.65
Dipole, Da:	5.92
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethyl)-1-[3-[1-hydroxy-1-(3H-isoindol-4-yl)-5-methoxypentyl]piperidin-1-yl]-4-(methylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC=CC=C2C3=CC=C(C=C3)F)O)CNC

DOS

IR

Vibrations