Geometry & MOs

Info

ID:	341939
PubChem CID:	127264632
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	271.097521
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	5.18
IP(EA), eV:	-9.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-pyrrolidin-2-ylbenzoate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)[C@@H]2CCCN2.Cl

DOS

IR

Vibrations