Geometry & MOs

Info

ID:	324817
PubChem CID:	126678401
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	438.134635
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	3.23
IP(EA), eV:	-8.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)O)O)OC

DOS

IR

Vibrations