Geometry & MOs

Info

ID:	265629
PubChem CID:	103534999
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-55.9
Dipole, Da:	5.36
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxypyrrolidin-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

COC1CCN(C1)C2=C(C=C(C=C2)C=O)Cl

DOS

IR

Vibrations