Geometry & MOs

Info

ID:	417966
PubChem CID:	135103183
Reduced:	FNO2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-152.04
Dipole, Da:	2.4
IP(EA), eV:	-8.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCC3(CC2)CC(CCO3)(C)O)F

DOS

IR

Vibrations