Geometry & MOs

Info

ID:	22015
PubChem CID:	595057
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)N2CCCC2

DOS

IR

Vibrations