Geometry & MOs

Info

ID:	445685
PubChem CID:	135268924
Reduced:	FN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	492.204052
ΔH_f, kcal/mol:	11.96
Dipole, Da:	2.62
IP(EA), eV:	-7.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloropyrazin-2-yl)-3-[5-[(5E,6E)-5-ethylidene-6-(2-morpholin-4-ylethylidene)pyrimidin-4-yl]-2-methylphenyl]propanamide

Drug info:

PubChemData

Smile

C=C1CNC=C1NCC2=CC=C(C=C2)F

DOS

IR

Vibrations