Geometry & MOs

Info

ID:	341938
PubChem CID:	127264631
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	3.93
IP(EA), eV:	-9.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)C(=O)C)N

DOS

IR

Vibrations