Geometry & MOs

Info

ID:	180985
PubChem CID:	76713706
Reduced:	ClN2O4C29H47 (1)
Stoich.:	AB2C4D29E47 (1)
Weight, g/mol:	476.361408
ΔH_f, kcal/mol:	-228.88
Dipole, Da:	2.58
IP(EA), eV:	-9.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-[2-(2,2-dimethylpropoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-3-methyl-4-(methylamino)butan-1-one

Drug info:

PubChemData

Smile

CNC(CCC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC(=CC=C2)Cl)O)CC3(CCCCC3)O

DOS

IR

Vibrations