Geometry & MOs

Info

ID:	29157
PubChem CID:	832045
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations