Geometry & MOs

Info

ID:	333234
PubChem CID:	127251783
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	436.202302
ΔH_f, kcal/mol:	12.84
Dipole, Da:	2.77
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4)C)C)OC

DOS

IR

Vibrations