Geometry & MOs

Info

ID:	310551
PubChem CID:	126582001
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	506.258086
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	3.11
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(hydroxymethyl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)CN2C(=C)C=CC2=O

DOS

IR

Vibrations