Geometry & MOs

Info

ID:	203985
PubChem CID:	79896764
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	7.21
IP(EA), eV:	-9.11(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CNCC1CCCN(C1)C=CC(=O)O

DOS

IR

Vibrations