Geometry & MOs

Info

ID:	265630
PubChem CID:	103535009
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.37
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxypyrrolidin-1-yl)-3-methylbenzaldehyde

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=CC=CC=C2C=O

DOS

IR

Vibrations