Geometry & MOs

Info

ID:	151023
PubChem CID:	53790720
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	47.66
Dipole, Da:	2.78
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-2-yl-2-(pyrrolidine-1-carbonyl)prop-2-enal

Drug info:

PubChemData

Smile

CC(=O)C1=C(NN=C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations