Geometry & MOs

Info

ID:	268268
PubChem CID:	103598667
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	3.24
IP(EA), eV:	-8.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OCC1=CC(=CC=C1)NC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations