Geometry & MOs

Info

ID:	155929
PubChem CID:	56368338
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	472.236208
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	7.44
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3O)Cl)N4C=CC=C4

DOS

IR

Vibrations