Geometry & MOs

Info

ID:	330040
PubChem CID:	127247027
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	4.85
IP(EA), eV:	-9.17(-0.72)
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-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CC=CC(=O)N3

DOS

IR

Vibrations