Geometry & MOs

Info

ID:	330022
PubChem CID:	127247009
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	3.36
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC=CC=C3C(=O)O

DOS

IR

Vibrations