Geometry & MOs

Info

ID:	330118
PubChem CID:	127247105
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	3.96
IP(EA), eV:	-8.69(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CC(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations