Geometry & MOs

Info

ID:	180984
PubChem CID:	76713705
Reduced:	NO2C17H26 (2)
Stoich.:	AB2C17D26 (2)
Weight, g/mol:	522.322436
ΔH_f, kcal/mol:	-151.34
Dipole, Da:	5.64
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-5-(1-hydroxycyclohexyl)-4-(methylamino)pentan-1-one

Drug info:

PubChemData

Smile

CCCCNCC(CC1CCCCC1)CC2=C(C(=O)C2=O)N3CCCC(C3)C(C4=CC=CC=C4)OCCCOC

DOS

IR

Vibrations