Geometry & MOs

Info

ID:	202043
PubChem CID:	79621438
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-178.04
Dipole, Da:	7.14
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(COC(=O)C1=C(C=C(C=C1)N)N)C(=O)O

DOS

IR

Vibrations