Geometry & MOs

Info

ID:	420509
PubChem CID:	135113522
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	4.76
IP(EA), eV:	-8.56(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)CN2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations