Geometry & MOs

Info

ID:	344247
PubChem CID:	127267423
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	2.46
IP(EA), eV:	-9.51(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methylpyridin-3-yl)oxymethyl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NC1COCC2=CC=CC=C12

DOS

IR

Vibrations