Geometry & MOs

Info

ID:	410975
PubChem CID:	135083779
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	198.079313
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	5.28
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-pyridin-4-yl-1-pyrrol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C\C(=O)OC)/N[C@H](CO)C1=CC=CC=C1

DOS

IR

Vibrations