Geometry & MOs

Info

ID:	294136
PubChem CID:	117427506
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	2.41
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,3-dimethoxy-4-pyrrolidin-2-ylbenzaldehyde

Drug info:

PubChemData

Smile

C1CNCCC1CC2=CC3=C(C(=C2O)Cl)OCO3

DOS

IR

Vibrations